EVODEX.1-P159

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]1=[C:12]([C:13]([H:33])([H:34])[H:35])[C:14](=[O:15])[C:16]([O:17][C:18]([H:36])([H:37])[H:38])=[C:19]([O:20][C:21]([H:39])([H:40])[H:41])[C:22]1=[O:23])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])([H:61])[H:62].[H][C@@:28]([C:27]([C:25](=[O:24])[O:26][H:63])([H:67])[H:68])([O:29][H])[C:30](=[O:31])[O:32][H:65]>>[H][O:15][C:14]1:[C:12]([C:13]([H:33])([H:34])[H:35]):[C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:60])([H:61])[H:62])([H:58])[H:59])([H:56])[H:57])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43]):[C:22]([O:23][H]):[C:19]([O:20][C:21]([H:39])([H:40])[H:41]):[C:16]:1[O:17][C:18]([H:36])([H:37])[H:38].[O:24]=[C:25]([O:26][H:63])[C:27]([C:28](=[O:29])[C:30](=[O:31])[O:32][H:65])([H:67])[H:68]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C72 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:1].[#8:6]).[H]-[#6@:13]-[#8:14]-[H]>>[#6:13]=[#8:14].([H]-[#8:1].[#8:6]-[H])

EVODEX.1-N83 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:1]=[#6:2].[#6:5]=[#8:6]).[H]-[#6@:13](-[#6@:11])(-[#8:14]-[H])-[#6@:15]>>[#6:13](-[#6@:11])(=[#8:14])-[#6@:15].([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H])

EVODEX.1-Em190 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:13]=[#6:14]1-[#6:15]=[#6:16]-[#6:17](=[#8:18])-[#6:19]=[#6:20]-1.[H]-[#6:5](-[#6:2]=[#8:1])(-[#8:6]-[H])-[#6:7]>>[#8:1]=[#6:2]-[#6:5](=[#8:6])-[#6:7].[H]-[#8:13]-[#6:14]1:[#6:15]:[#6:16]:[#6:17](-[#8:18]-[H]):[#6:19]:[#6:20]:1

EVODEX.1-Cm76 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([#8:1].[#8:6]).[H]-[#6:13]-[#8:14]-[H]>>[#6:13]=[#8:14].([H]-[#8:1].[#8:6]-[H])

EVODEX.1-Nm98 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([#8:1]=[#6:2].[#6:5]=[#8:6]).[H]-[#6:13](-[#6:11])(-[#8:14]-[H])-[#6:15]>>[#6:11]-[#6:13](=[#8:14])-[#6:15].([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H])

Source Full Reactions

EVODEX.1-R204

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]1=[C:12]([C:13]([H:33])([H:34])[H:35])[C:14](=[O:15])[C:16]([O:17][C:18]([H:36])([H:37])[H:38])=[C:19]([O:20][C:21]([H:39])([H:40])[H:41])[C:22]1=[O:23])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])([H:61])[H:62].[H][C@@:28]([C:27]([C:25](=[O:24])[O:26][H:63])([H:67])[H:68])([O:29][H])[C:30](=[O:31])[O:32][H:65]>>[H][O:15][C:14]1:[C:12]([C:13]([H:33])([H:34])[H:35]):[C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:60])([H:61])[H:62])([H:58])[H:59])([H:56])[H:57])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])([H:48])[H:49])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43]):[C:22]([O:23][H]):[C:19]([O:20][C:21]([H:39])([H:40])[H:41]):[C:16]:1[O:17][C:18]([H:36])([H:37])[H:38].[O:24]=[C:25]([O:26][H:63])[C:27]([C:28](=[O:29])[C:30](=[O:31])[O:32][H:65])([H:67])[H:68]