SMIRKS
[C:49]([C:50]([C:51]([H:124])([H:125])[H:126])([C:52]([C:53]([C:54](=[O:55])[O:56][H:127])([H:128])[H:129])([H:130])[H:131])[H:132])([H:133])([H:134])[H:135].[N:57]([C:58]1:[N:59]:[C:60]([H:136]):[N:61]:[C:62]2:[C:63]:1:[N:64]:[C:65]([H:137]):[N:66]:2[C@:67]1([H:138])[O:68][C@@:69]([C:70]([O:71][P:72](=[O:73])([O:74][H:139])[O:75][P:76](=[O:77])([O:78][H:140])[O:79][P:80](=[O:81])([O:82][H:141])[O:83][H:142])([H:143])[H:144])([H:145])[C@:84]([O:85][H:146])([H:147])[C@:86]1([O:87][H:148])[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:54]([C:53]([C:52]([C:50]([C:49]([H:133])([H:134])[H:135])([C:51]([H:124])([H:125])[H:126])[H:132])([H:130])[H:131])([H:128])[H:129])=[O:55])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[O:56]([P:72]([O:71][C:70]([C@@:69]1([H:145])[O:68][C@:67]([N:66]2:[C:62]3:[N:61]:[C:60]([H:136]):[N:59]:[C:58]([N:57]([H:150])[H:151]):[C:63]:3:[N:64]:[C:65]:2[H:137])([H:138])[C@@:86]([O:87][H:148])([H:149])[C@@:84]1([O:85][H:146])[H:147])([H:143])[H:144])(=[O:73])[O:74][H:139])[H:127].[H][O:75][P:76](=[O:77])([O:78][H:140])[O:79][P:80](=[O:81])([O:82][H:141])[O:83][H:142]
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-E736 - Reaction Operator E
[#6:78](-[#6@:50])(=[#8:79])-[#8:80]-[H:189].([#8:95]-[#15:96](=[#8:97])(-[#8:98])-[#8:99]-[#15:100].[#8:109]-[#6@@:108](-[#6@@:93])(-[H:205])-[#6@:110](-[#6@:91])(-[#8:111])-[H:207])>>[#6](-[#6](-[#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])-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#7](-[#6](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](-[#16]-[#6:78](-[#6@:50])=[#8:79])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])(-[H])-[H].([#8:80](-[#15:96](-[#8:95])(=[#8:97])-[#8:98])-[H:189].[#8:111]-[#6@:110](-[#6@:91])(-[H:207])-[#6@@:108](-[#6@@:93])(-[#8:109])-[H:205]).[#8:99](-[#15:100])-[H]
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-Em142 - Reaction Operator Em
[#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]
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-R7209
[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:121])([H:122])[H:123])([C:3]([H:88])([H:89])[H:90])[C:4]([O:5][P:6](=[O:7])([O:8][H:91])[O:9][P:10](=[O:11])([O:12][H:92])[O:13][C:14]([C@@:15]1([H:93])[O:16][C@:17]([N:18]2:[C:19]([H:94]):[N:20]:[C:21]3:[C:22]([N:23]([H:95])[H:96]):[N:24]:[C:25]([H:97]):[N:26]:[C:27]:2:3)([H:98])[C@@:28]([O:29][H:99])([H:100])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:101])[O:35][H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([O:37][H:108])[H:120])=[O:39])[H:119])([H:117])[H:118])([H:115])[H:116])=[O:44])[H:114])([H:112])[H:113])([H:110])[H:111].[C:49]([C:50]([C:51]([H:124])([H:125])[H:126])([C:52]([C:53]([C:54](=[O:55])[O:56][H:127])([H:128])[H:129])([H:130])[H:131])[H:132])([H:133])([H:134])[H:135].[N:57]([C:58]1:[N:59]:[C:60]([H:136]):[N:61]:[C:62]2:[C:63]:1:[N:64]:[C:65]([H:137]):[N:66]:2[C@:67]1([H:138])[O:68][C@@:69]([C:70]([O:71][P:72](=[O:73])([O:74][H:139])[O:75][P:76](=[O:77])([O:78][H:140])[O:79][P:80](=[O:81])([O:82][H:141])[O:83][H:142])([H:143])[H:144])([H:145])[C@:84]([O:85][H:146])([H:147])[C@:86]1([O:87][H:148])[H:149])([H:150])[H:151]>>[C:1]([C:2]([C:3]([H:88])([H:89])[H:90])([C:4]([O:5][P:6](=[O:7])([O:8][H:91])[O:9][P:10](=[O:11])([O:12][H:92])[O:13][C:14]([C@@:15]1([H:93])[O:16][C@:17]([N:18]2:[C:19]([H:94]):[N:20]:[C:21]3:[C:22]([N:23]([H:95])[H:96]):[N:24]:[C:25]([H:97]):[N:26]:[C:27]:2:3)([H:98])[C@@:28]([O:29][H:99])([H:100])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:101])[O:35][H:102])[H:103])([H:104])[H:105])([H:106])[H:107])[C@@:36]([O:37][H:108])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:54]([C:53]([C:52]([C:50]([C:49]([H:133])([H:134])[H:135])([C:51]([H:124])([H:125])[H:126])[H:132])([H:130])[H:131])([H:128])[H:129])=[O:55])([H:110])[H:111])([H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])[H:119])[H:120])([H:121])([H:122])[H:123].[O:56]([P:72]([O:71][C:70]([C@@:69]1([H:145])[O:68][C@:67]([N:66]2:[C:62]3:[N:61]:[C:60]([H:136]):[N:59]:[C:58]([N:57]([H:150])[H:151]):[C:63]:3:[N:64]:[C:65]:2[H:137])([H:138])[C@@:86]([O:87][H:148])([H:149])[C@@:84]1([O:85][H:146])[H:147])([H:143])[H:144])(=[O:73])[O:74][H:139])[H:127].[H][O:75][P:76](=[O:77])([O:78][H:140])[O:79][P:80](=[O:81])([O:82][H:141])[O:83][H:142]