EVODEX.1-P2152

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E67 - Reaction Operator E

Reaction Operator E SMIRKS

([#7:8](-[#6@@:7])(-[H:19])-[H].[#7:15](-[#6@@:14](-[#6@@:2])(-[#6:16])-[H:34])(-[H:31])-[H:32])>>[#7:8](-[#6@@:7])(-[H:19])-[#6@@:14](-[#6@@:2])(-[#6:16])-[H:34].[#7:15](-[H:31])(-[H:32])-[H]

EVODEX.1-C184 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#7:1].[#6:5]-[#7:7])>>[H]-[#7:7].[#7:1]-[#6:5]

EVODEX.1-N1089 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#7:1](-[#6:2])-[H:57].[#6:5]-[#6@:6](-[#7:7](-[H:32])-[H:33])(-[#6:8])-[H:52])>>[H]-[#7:7](-[H:32])-[H:33].[#7:1](-[H:57])(-[#6:2])-[#6@@:6](-[#6:5])(-[#6:8])-[H:52]

EVODEX.1-Em472 - Reaction Operator Em

Reaction Operator Em SMIRKS

([H]-[#7:1]-[#6:2].[#6:5]-[#6:6](-[#7:7])-[#6:8])>>[H]-[#7:7].[#7:1](-[#6:2])-[#6:6](-[#6:5])-[#6:8]

EVODEX.1-Cm101 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#7:9].[#6:4]-[#7:3])>>[#6:4]-[#7:9].[H]-[#7:3]

EVODEX.1-Nm423 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([H]-[#7:1]-[#6:2].[#6:5]-[#6:6](-[#7:7])-[#6:8])>>[H]-[#7:7].[#7:1](-[#6:2])-[#6:6](-[#6:5])-[#6:8]

Source Full Reactions

EVODEX.1-R2901

Full Reaction Rendering

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