EVODEX.1-P1713

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:58])([C:17]([C:18]([H:59])([H:60])[H:61])([C:19]([H:62])([H:63])[H:64])[C:20]([O:21][P:22](=[O:23])([O:24][H:65])[O:25][P:26](=[O:27])([O:28][H:66])[O:29][C:30]([C@@:31]1([H:67])[O:32][C@:33]([N:34]2:[C:35]([H:68]):[N:36]:[C:37]3:[C:38]([N:39]([H:69])[H:70]):[N:40]:[C:41]([H:71]):[N:42]:[C:43]:2:3)([H:72])[C@@:44]([O:45][H:73])([H:74])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:75])[O:51][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])([H:94])[H:95].[H][C:52]([C@:53]([N:54]([H:96])[H:97])([C:55](=[O:56])[O:57][H:98])[H:99])([H:100])[H:101]>>[C:1]([C:2](=[O:3])[C:52]([C@:53]([N:54]([H:96])[H:97])([C:55](=[O:56])[O:57][H:98])[H:99])([H:100])[H:101])([H:93])([H:94])[H:95].[H][S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:58])([C:17]([C:18]([H:59])([H:60])[H:61])([C:19]([H:62])([H:63])[H:64])[C:20]([O:21][P:22](=[O:23])([O:24][H:65])[O:25][P:26](=[O:27])([O:28][H:66])[O:29][C:30]([C@@:31]1([H:67])[O:32][C@:33]([N:34]2:[C:35]([H:68]):[N:36]:[C:37]3:[C:38]([N:39]([H:69])[H:70]):[N:40]:[C:41]([H:71]):[N:42]:[C:43]:2:3)([H:72])[C@@:44]([O:45][H:73])([H:74])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:75])[O:51][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[H:88])([H:89])[H:90])([H:91])[H:92]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E222 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#6:2])(-[H:139])(-[H:140])-[H].[#6:53]-[#6:54](=[#8:55])-[#16:56]-[#6:57]>>[#6:1](-[#6:2])(-[#6:54](-[#6:53])=[#8:55])(-[H:139])-[H:140].[#16:56](-[#6:57])-[H]

EVODEX.1-C113 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#16:4].[H]-[#6:52]>>[#6:2]-[#6:52].[H]-[#16:4]

EVODEX.1-N341 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5].[H]-[#6:52](-[#6:53])(-[H:178])-[H:179]>>[#6:1]-[#6:2](=[#8:3])-[#6:52](-[#6:53])(-[H:178])-[H:179].[H]-[#16:4]-[#6:5]

EVODEX.1-Em440 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5].[H]-[#6:52]-[#6:53]>>[#6:1]-[#6:2](=[#8:3])-[#6:52]-[#6:53].[H]-[#16:4]-[#6:5]

EVODEX.1-Cm134 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#16:4].[H]-[#6:52]>>[#6:2]-[#6:52].[H]-[#16:4]

EVODEX.1-Nm393 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#16:4]-[#6:5].[H]-[#6:52]-[#6:53]>>[#6:1]-[#6:2](=[#8:3])-[#6:52]-[#6:53].[H]-[#16:4]-[#6:5]

Source Full Reactions

EVODEX.1-R2279

Full Reaction Rendering

[C:1]([C:2](=[O:3])[S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:58])([C:17]([C:18]([H:59])([H:60])[H:61])([C:19]([H:62])([H:63])[H:64])[C:20]([O:21][P:22](=[O:23])([O:24][H:65])[O:25][P:26](=[O:27])([O:28][H:66])[O:29][C:30]([C@@:31]1([H:67])[O:32][C@:33]([N:34]2:[C:35]([H:68]):[N:36]:[C:37]3:[C:38]([N:39]([H:69])[H:70]):[N:40]:[C:41]([H:71]):[N:42]:[C:43]:2:3)([H:72])[C@@:44]([O:45][H:73])([H:74])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:75])[O:51][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])([H:94])[H:95].[H][C:52]([C@:53]([N:54]([H:96])[H:97])([C:55](=[O:56])[O:57][H:98])[H:99])([H:100])[H:101]>>[C:1]([C:2](=[O:3])[C:52]([C@:53]([N:54]([H:96])[H:97])([C:55](=[O:56])[O:57][H:98])[H:99])([H:100])[H:101])([H:93])([H:94])[H:95].[H][S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:58])([C:17]([C:18]([H:59])([H:60])[H:61])([C:19]([H:62])([H:63])[H:64])[C:20]([O:21][P:22](=[O:23])([O:24][H:65])[O:25][P:26](=[O:27])([O:28][H:66])[O:29][C:30]([C@@:31]1([H:67])[O:32][C@:33]([N:34]2:[C:35]([H:68]):[N:36]:[C:37]3:[C:38]([N:39]([H:69])[H:70]):[N:40]:[C:41]([H:71]):[N:42]:[C:43]:2:3)([H:72])[C@@:44]([O:45][H:73])([H:74])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:75])[O:51][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])[H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[H:88])([H:89])[H:90])([H:91])[H:92]