EVODEX.1-P6395

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:6]([C@:4]([C:3]([C:2]([C:1]([H:100])([H:101])[H:102])([H:98])[H:99])([H:96])[H:97])([O:5][H:57])[H:95])([C:7](=[O:8])[S:9][C:10]([C:11]([N:12]([C:13](=[O:14])[C:15]([C:16]([N:17]([C:18](=[O:19])[C@:20]([O:21][H:58])([C:22]([C:23]([H:59])([H:60])[H:61])([C:24]([H:62])([H:63])[H:64])[C:25]([O:26][P:27](=[O:28])([O:29][H:65])[O:30][P:31](=[O:32])([O:33][H:66])[O:34][C:35]([C@@:36]1([H:67])[O:37][C@:38]([N:39]2:[C:40]([H:68]):[N:41]:[C:42]3:[C:43]([N:44]([H:69])[H:70]):[N:45]:[C:46]([H:71]):[N:47]:[C:48]:2:3)([H:72])[C@@:49]([O:50][H:73])([H:74])[C@@:51]1([O:52][P:53](=[O:54])([O:55][H:75])[O:56][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]>>[C:1]([C:2]([C:3]([C:4](=[C:6]([C:7](=[O:8])[S:9][C:10]([C:11]([N:12]([C:13](=[O:14])[C:15]([C:16]([N:17]([C:18](=[O:19])[C@:20]([O:21][H:58])([C:22]([C:23]([H:59])([H:60])[H:61])([C:24]([H:62])([H:63])[H:64])[C:25]([O:26][P:27](=[O:28])([O:29][H:65])[O:30][P:31](=[O:32])([O:33][H:66])[O:34][C:35]([C@@:36]1([H:67])[O:37][C@:38]([N:39]2:[C:40]([H:68]):[N:41]:[C:42]3:[C:43]([N:44]([H:69])[H:70]):[N:45]:[C:46]([H:71]):[N:47]:[C:48]:2:3)([H:72])[C@@:49]([O:50][H:73])([H:74])[C@@:51]1([O:52][P:53](=[O:54])([O:55][H:75])[O:56][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:95])([H:96])[H:97])([H:98])[H:99])([H:100])([H:101])[H:102].[H][O:5][H:57]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C48 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:2]-[#6:3]-[#8:4]>>[#6:2]=[#6:3].[H]-[#8:4]

EVODEX.1-N15 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:2](-[#6:1])(-[#6:3](-[#8:4]-[H:55])(-[#6:5])-[H:91])-[H:92]>>[#6:1]-[#6:2](=[#6:3](-[#6:5])-[H:91])-[H:92].[H]-[#8:4]-[H:55]

EVODEX.1-Em172 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:51](-[#6:49]=[#8:50])-[#6:52](-[#8:53])-[#6:54]>>[#6:49](=[#8:50])-[#6:51]=[#6:52]-[#6:54].[H]-[#8:53]

EVODEX.1-Cm74 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:36]-[#6:19]-[#8:18]>>[#6:19]=[#6:36].[H]-[#8:18]

EVODEX.1-Nm69 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6987

Full Reaction Rendering

[H][C:6]([C@:4]([C:3]([C:2]([C:1]([H:100])([H:101])[H:102])([H:98])[H:99])([H:96])[H:97])([O:5][H:57])[H:95])([C:7](=[O:8])[S:9][C:10]([C:11]([N:12]([C:13](=[O:14])[C:15]([C:16]([N:17]([C:18](=[O:19])[C@:20]([O:21][H:58])([C:22]([C:23]([H:59])([H:60])[H:61])([C:24]([H:62])([H:63])[H:64])[C:25]([O:26][P:27](=[O:28])([O:29][H:65])[O:30][P:31](=[O:32])([O:33][H:66])[O:34][C:35]([C@@:36]1([H:67])[O:37][C@:38]([N:39]2:[C:40]([H:68]):[N:41]:[C:42]3:[C:43]([N:44]([H:69])[H:70]):[N:45]:[C:46]([H:71]):[N:47]:[C:48]:2:3)([H:72])[C@@:49]([O:50][H:73])([H:74])[C@@:51]1([O:52][P:53](=[O:54])([O:55][H:75])[O:56][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]>>[C:1]([C:2]([C:3]([C:4](=[C:6]([C:7](=[O:8])[S:9][C:10]([C:11]([N:12]([C:13](=[O:14])[C:15]([C:16]([N:17]([C:18](=[O:19])[C@:20]([O:21][H:58])([C:22]([C:23]([H:59])([H:60])[H:61])([C:24]([H:62])([H:63])[H:64])[C:25]([O:26][P:27](=[O:28])([O:29][H:65])[O:30][P:31](=[O:32])([O:33][H:66])[O:34][C:35]([C@@:36]1([H:67])[O:37][C@:38]([N:39]2:[C:40]([H:68]):[N:41]:[C:42]3:[C:43]([N:44]([H:69])[H:70]):[N:45]:[C:46]([H:71]):[N:47]:[C:48]:2:3)([H:72])[C@@:49]([O:50][H:73])([H:74])[C@@:51]1([O:52][P:53](=[O:54])([O:55][H:75])[O:56][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:95])([H:96])[H:97])([H:98])[H:99])([H:100])([H:101])[H:102].[H][O:5][H:57]