SMIRKS
[C:49]([O:50][C:51]1:[C:52]([H:132]):[C:53]([C:54](=[C:55]([C:56](=[O:57])[O:58][H:133])[H:134])[H:135]):[C:59]([H:136]):[C:60]([O:61][C:62]([H:137])([H:138])[H:139]):[C:63]:1[O:64][H:140])([H:141])([H:142])[H:143].[N:65]([C:66]1:[N:67]:[C:68]([H:144]):[N:69]:[C:70]2:[C:71]:1:[N:72]:[C:73]([H:145]):[N:74]:2[C@:75]1([H:146])[O:76][C@@:77]([C:78]([O:79][P:80](=[O:81])([O:82][H:147])[O:83][P:84](=[O:85])([O:86][H:148])[O:87][P:88](=[O:89])([O:90][H:149])[O:91][H:150])([H:151])[H:152])([H:153])[C@:92]([O:93][H:154])([H:155])[C@:94]1([O:95][H:156])[H:157])([H:158])[H:159]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:56]([C:55](=[C:54]([C:53]2:[C:52]([H:132]):[C:51]([O:50][C:49]([H:141])([H:142])[H:143]):[C:63]([O:64][H:140]):[C:60]([O:61][C:62]([H:137])([H:138])[H:139]):[C:59]:2[H:136])[H:135])[H:134])=[O:57])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[O:58]([P:80]([O:79][C:78]([C@@:77]1([H:153])[O:76][C@:75]([N:74]2:[C:70]3:[N:69]:[C:68]([H:144]):[N:67]:[C:66]([N:65]([H:158])[H:159]):[C:71]:3:[N:72]:[C:73]:2[H:145])([H:146])[C@@:94]([O:95][H:156])([H:157])[C@@:92]1([O:93][H:154])[H:155])([H:151])[H:152])(=[O:81])[O:82][H:147])[H:133].[H][O:83][P:84](=[O:85])([O:86][H:148])[O:87][P:88](=[O:89])([O:90][H:149])[O:91][H:150]
Derived Operators
EVODEX.1-F117 - Elemental Balance
| P | 3 |
| O | 16 |
| C | 21 |
| S | 1 |
| N | 7 |
| H | 36 |
EVODEX.1-M20 - Mass Difference
767.1154799999999
EVODEX.1-E737 - Reaction Operator E
[#6:1]=[#6:2]-[#6:7](=[#8:8])-[#8:9]-[H:92].([#8:76]-[#15:77](=[#8:78])(-[#8:79])-[#8:80]-[#15:81].[#8:86]-[#6@@:85](-[#6@@:70])(-[H:142])-[#6@:87](-[#6@:68])(-[#8:88])-[H:144])>>[#6:1]=[#6:2]-[#6:7](=[#8:8])-[#16]-[#6](-[#6](-[#7](-[#6](-[#6](-[#6](-[#7](-[#6](-[#6@@](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#8]-[H])-[H])=[#8])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H])(-[H])-[H])(-[H])-[H].[#8:80](-[#15:81])-[H].([#8:9](-[#15:77](-[#8:76])(=[#8:78])-[#8:79])-[H:92].[#8:88]-[#6@:87](-[#6@:68])(-[H:144])-[#6@@:85](-[#6@@:70])(-[#8:86])-[H:142])
EVODEX.1-C148 - Reaction Operator C
[#6:57]-[#8:59].([#15:75]-[#8:78].[#6@:87]-[#6@:89])>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:57])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.([#8:59]-[#15:75].[#6@@:89]-[#6@@:87]).[H]-[#8:78]
EVODEX.1-N64 - Reaction Operator N
[#6:56]-[#6:57](=[#8:58])-[#8:59]-[H:134].([#8:74]-[#15:75](=[#8:76])(-[#8:77])-[#8:78]-[#15:79].[#8:88]-[#6@@:87](-[#6@@:72])(-[H:154])-[#6@:89](-[#6@:70])(-[#8:90])-[H:156])>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:57](-[#6:56])=[#8:58])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.([#8:59](-[#15:75](-[#8:74])(=[#8:76])-[#8:77])-[H:134].[#8:90]-[#6@:89](-[#6@:70])(-[H:156])-[#6@@:87](-[#6@@:72])(-[#8:88])-[H:154]).[H]-[#8:78]-[#15:79]
EVODEX.1-Em146 - Reaction Operator Em
[#6:1]=[#6:2]-[#6:7](=[#8:8])-[#8:9].[#8:74]-[#15:75](=[#8:76])(-[#8:77])-[#8:78]-[#15:79]>>[#6]-[#16]-[#6:7](-[#6:2]=[#6:1])=[#8:8].[H]-[#8:78]-[#15:79].[#8:9]-[#15:75](-[#8:74])(=[#8:76])-[#8:77]
EVODEX.1-Cm85 - Reaction Operator Cm
[#6:57]-[#8:59].[#15:75]-[#8:78]>>[#16]-[#6:57].[#8:59]-[#15:75].[H]-[#8:78]
EVODEX.1-Nm63 - Reaction Operator Nm
[#6:56]-[#6:57](=[#8:58])-[#8:59].[#8:74]-[#15:75](=[#8:76])(-[#8:77])-[#8:78]-[#15:79]>>[#6]-[#16]-[#6:57](-[#6:56])=[#8:58].[#8:59]-[#15:75](-[#8:74])(=[#8:76])-[#8:77].[H]-[#8:78]-[#15:79]
Source Full Reactions
EVODEX.1-R7257
[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:129])([H:130])[H:131])([C:3]([H:96])([H:97])[H:98])[C:4]([O:5][P:6](=[O:7])([O:8][H:99])[O:9][P:10](=[O:11])([O:12][H:100])[O:13][C:14]([C@@:15]1([H:101])[O:16][C@:17]([N:18]2:[C:19]([H:102]):[N:20]:[C:21]3:[C:22]([N:23]([H:103])[H:104]):[N:24]:[C:25]([H:105]):[N:26]:[C:27]:2:3)([H:106])[C@@:28]([O:29][H:107])([H:108])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:109])[O:35][H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([O:37][H:116])[H:128])=[O:39])[H:127])([H:125])[H:126])([H:123])[H:124])=[O:44])[H:122])([H:120])[H:121])([H:118])[H:119].[C:49]([O:50][C:51]1:[C:52]([H:132]):[C:53]([C:54](=[C:55]([C:56](=[O:57])[O:58][H:133])[H:134])[H:135]):[C:59]([H:136]):[C:60]([O:61][C:62]([H:137])([H:138])[H:139]):[C:63]:1[O:64][H:140])([H:141])([H:142])[H:143].[N:65]([C:66]1:[N:67]:[C:68]([H:144]):[N:69]:[C:70]2:[C:71]:1:[N:72]:[C:73]([H:145]):[N:74]:2[C@:75]1([H:146])[O:76][C@@:77]([C:78]([O:79][P:80](=[O:81])([O:82][H:147])[O:83][P:84](=[O:85])([O:86][H:148])[O:87][P:88](=[O:89])([O:90][H:149])[O:91][H:150])([H:151])[H:152])([H:153])[C@:92]([O:93][H:154])([H:155])[C@:94]1([O:95][H:156])[H:157])([H:158])[H:159]>>[C:1]([C:2]([C:3]([H:96])([H:97])[H:98])([C:4]([O:5][P:6](=[O:7])([O:8][H:99])[O:9][P:10](=[O:11])([O:12][H:100])[O:13][C:14]([C@@:15]1([H:101])[O:16][C@:17]([N:18]2:[C:19]([H:102]):[N:20]:[C:21]3:[C:22]([N:23]([H:103])[H:104]):[N:24]:[C:25]([H:105]):[N:26]:[C:27]:2:3)([H:106])[C@@:28]([O:29][H:107])([H:108])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:109])[O:35][H:110])[H:111])([H:112])[H:113])([H:114])[H:115])[C@@:36]([O:37][H:116])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:56]([C:55](=[C:54]([C:53]1:[C:52]([H:132]):[C:51]([O:50][C:49]([H:141])([H:142])[H:143]):[C:63]([O:64][H:140]):[C:60]([O:61][C:62]([H:137])([H:138])[H:139]):[C:59]:1[H:136])[H:135])[H:134])=[O:57])([H:118])[H:119])([H:120])[H:121])[H:122])([H:123])[H:124])([H:125])[H:126])[H:127])[H:128])([H:129])([H:130])[H:131].[O:58]([P:80]([O:79][C:78]([C@@:77]1([H:153])[O:76][C@:75]([N:74]2:[C:70]3:[N:69]:[C:68]([H:144]):[N:67]:[C:66]([N:65]([H:158])[H:159]):[C:71]:3:[N:72]:[C:73]:2[H:145])([H:146])[C@@:94]([O:95][H:156])([H:157])[C@@:92]1([O:93][H:154])[H:155])([H:151])[H:152])(=[O:81])[O:82][H:147])[H:133].[H][O:83][P:84](=[O:85])([O:86][H:148])[O:87][P:88](=[O:89])([O:90][H:149])[O:91][H:150]