SMIRKS
[N:49]([C:50]1:[N:51]:[C:52]([H:128]):[N:53]:[C:54]2:[C:55]:1:[N:56]:[C:57]([H:129]):[N:58]:2[C@:59]1([H:130])[O:60][C@@:61]([C:62]([O:63][P:64](=[O:65])([O:66][H:131])[O:67][P:68](=[O:69])([O:70][H:132])[O:71][P:72](=[O:73])([O:74][H:133])[O:75][H:134])([H:135])[H:136])([H:137])[C@:76]([O:77][H:138])([H:139])[C@:78]1([O:79][H:140])[H:141])([H:142])[H:143].[O:80]=[C:81]([O:82][H:144])[C:83](=[C:84]([C:85]1:[C:86]([H:145]):[C:87]([H:146]):[C:88]([H:147]):[C:89]([H:148]):[C:90]:1[O:91][H:149])[H:150])[H:151]>>[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:81](=[O:80])[C:83](=[C:84]([C:85]2:[C:86]([H:145]):[C:87]([H:146]):[C:88]([H:147]):[C:89]([H:148]):[C:90]:2[O:91][H:149])[H:150])[H:151])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[N:49]([C:50]1:[N:51]:[C:52]([H:128]):[N:53]:[C:54]2:[C:55]:1:[N:56]:[C:57]([H:129]):[N:58]:2[C@:59]1([H:130])[O:60][C@@:61]([C:62]([O:63][P:64](=[O:65])([O:66][H:131])[O:82][H:144])([H:135])[H:136])([H:137])[C@:76]([O:77][H:138])([H:139])[C@:78]1([O:79][H:140])[H:141])([H:142])[H:143].[H][O:67][P:68](=[O:69])([O:70][H:132])[O:71][P:72](=[O:73])([O:74][H:133])[O:75][H:134]
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-C162 - Reaction Operator C
[#15:64]-[#8:67].[#6:81]-[#8:82]>>[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]-[#6:81])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[#15:64]-[#8:82].[H]-[#8:67]
EVODEX.1-N77 - Reaction Operator N
[#8:63]-[#15:64](=[#8:65])(-[#8:66])-[#8:67]-[#15:68].[#8:80]=[#6:81](-[#8:82]-[H:148])-[#6:83]>>[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]-[#6:81](=[#8:80])-[#6:83])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[#8:63]-[#15:64](=[#8:65])(-[#8:66])-[#8:82]-[H:148].[H]-[#8:67]-[#15:68]
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-R7265
[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:125])([H:126])[H:127])([C:3]([H:92])([H:93])[H:94])[C:4]([O:5][P:6](=[O:7])([O:8][H:95])[O:9][P:10](=[O:11])([O:12][H:96])[O:13][C:14]([C@@:15]1([H:97])[O:16][C@:17]([N:18]2:[C:19]([H:98]):[N:20]:[C:21]3:[C:22]([N:23]([H:99])[H:100]):[N:24]:[C:25]([H:101]):[N:26]:[C:27]:2:3)([H:102])[C@@:28]([O:29][H:103])([H:104])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:105])[O:35][H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([O:37][H:112])[H:124])=[O:39])[H:123])([H:121])[H:122])([H:119])[H:120])=[O:44])[H:118])([H:116])[H:117])([H:114])[H:115].[N:49]([C:50]1:[N:51]:[C:52]([H:128]):[N:53]:[C:54]2:[C:55]:1:[N:56]:[C:57]([H:129]):[N:58]:2[C@:59]1([H:130])[O:60][C@@:61]([C:62]([O:63][P:64](=[O:65])([O:66][H:131])[O:67][P:68](=[O:69])([O:70][H:132])[O:71][P:72](=[O:73])([O:74][H:133])[O:75][H:134])([H:135])[H:136])([H:137])[C@:76]([O:77][H:138])([H:139])[C@:78]1([O:79][H:140])[H:141])([H:142])[H:143].[O:80]=[C:81]([O:82][H:144])[C:83](=[C:84]([C:85]1:[C:86]([H:145]):[C:87]([H:146]):[C:88]([H:147]):[C:89]([H:148]):[C:90]:1[O:91][H:149])[H:150])[H:151]>>[C:1]([C:2]([C:3]([H:92])([H:93])[H:94])([C:4]([O:5][P:6](=[O:7])([O:8][H:95])[O:9][P:10](=[O:11])([O:12][H:96])[O:13][C:14]([C@@:15]1([H:97])[O:16][C@:17]([N:18]2:[C:19]([H:98]):[N:20]:[C:21]3:[C:22]([N:23]([H:99])[H:100]):[N:24]:[C:25]([H:101]):[N:26]:[C:27]:2:3)([H:102])[C@@:28]([O:29][H:103])([H:104])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:105])[O:35][H:106])[H:107])([H:108])[H:109])([H:110])[H:111])[C@@:36]([O:37][H:112])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:81](=[O:80])[C:83](=[C:84]([C:85]1:[C:86]([H:145]):[C:87]([H:146]):[C:88]([H:147]):[C:89]([H:148]):[C:90]:1[O:91][H:149])[H:150])[H:151])([H:114])[H:115])([H:116])[H:117])[H:118])([H:119])[H:120])([H:121])[H:122])[H:123])[H:124])([H:125])([H:126])[H:127].[N:49]([C:50]1:[N:51]:[C:52]([H:128]):[N:53]:[C:54]2:[C:55]:1:[N:56]:[C:57]([H:129]):[N:58]:2[C@:59]1([H:130])[O:60][C@@:61]([C:62]([O:63][P:64](=[O:65])([O:66][H:131])[O:82][H:144])([H:135])[H:136])([H:137])[C@:76]([O:77][H:138])([H:139])[C@:78]1([O:79][H:140])[H:141])([H:142])[H:143].[H][O:67][P:68](=[O:69])([O:70][H:132])[O:71][P:72](=[O:73])([O:74][H:133])[O:75][H:134]