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EVODEX.1-P4845

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-C917 - Reaction Operator C

Reaction Operator C SMIRKS

([#7:45]-[#6:46].[#6@@:41])>>[H]-[#8]-[#6:46].([H]-[#7:45].[#6@:41])

EVODEX.1-N1387 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:7]-[#6@:8](-[#7:9])(-[#6:41])-[H:72].[#7:31](-[#6@:23])(-[#6:32](=[#8:33])-[#6:34])-[H:66])>>[H]-[#8]-[#6:32](=[#8:33])-[#6:34].([H]-[#7:31](-[#6@:23])-[H:66].[#7:9]-[#6@@:8](-[#6:7])(-[#6:41])-[H:72])

EVODEX.1-Em647 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9]=[#6:10]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9]=[#6:10].[H]-[#7:6]-[#6:5]

EVODEX.1-Cm18 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:4]-[#6:5]>>[H]-[#7:4].[#8]-[#6:5]

EVODEX.1-Nm48 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9].[H]-[#7:6]-[#6:5]

Source Full Reactions

EVODEX.1-R5641

Full Reaction Rendering

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