EVODEX.1-P6203

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:6][C:4]([C@:3]([C:2]([C:1]([H:96])([H:97])[H:98])([H:94])[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])=[O:5]>>[C:4](=[O:5])=[O:6].[H][C:3]([C:2]([C:1]([H:96])([H:97])[H:98])([H:94])[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]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E187 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6@@:3](-[#6:4](=[#8:5])-[#8:6]-[H])(-[#6:7])-[H:93]>>[#6:4](=[#8:5])=[#8:6].[#6:2]-[#6:3](-[#6:7])(-[H:93])-[H]

EVODEX.1-C3 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:5]-[#6:4]-[#6:6]>>[#6:4]=[#8:5].[H]-[#6:6]

EVODEX.1-N910 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:6]-[#6:4](-[#6@:3](-[#6:2])(-[#6:7])-[H:93])=[#8:5]>>[#6:4](=[#8:5])=[#8:6].[H]-[#6:3](-[#6:2])(-[#6:7])-[H:93]

EVODEX.1-Em719 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:6]-[#6:4](-[#6:3](-[#6:2])-[#6:7])=[#8:5]>>[#6:4](=[#8:5])=[#8:6].[H]-[#6:3](-[#6:2])-[#6:7]

EVODEX.1-Cm26 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:5]-[#6:4]-[#6:6]>>[#6:4]=[#8:5].[H]-[#6:6]

EVODEX.1-Nm648 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:6]-[#6:4](-[#6:3](-[#6:2])-[#6:7])=[#8:5]>>[#6:4](=[#8:5])=[#8:6].[H]-[#6:3](-[#6:2])-[#6:7]

Source Full Reactions

EVODEX.1-R6809

Full Reaction Rendering

[H][O:6][C:4]([C@:3]([C:2]([C:1]([H:96])([H:97])[H:98])([H:94])[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])=[O:5]>>[C:4](=[O:5])=[O:6].[H][C:3]([C:2]([C:1]([H:96])([H:97])[H:98])([H:94])[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]