EVODEX Logo

EVODEX.1-P4660

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E356 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#7:5](-[#6@:6])-[H:78]>>[#6:2]-[#6:3](=[#8:4])-[#8]-[H].[#7:5](-[#6@:6])(-[H:78])-[H]

EVODEX.1-C23 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N727 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:6]-[#6:7](=[#8:8])-[#7:9](-[#6@@:10])-[H:31]>>[H]-[#8]-[#6:7](-[#6:6])=[#8:8].[H]-[#7:9](-[#6@@:10])-[H:31]

EVODEX.1-Em50 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:7]-[#7:8]-[#6:9](-[#6:10])=[#8:11]>>[H]-[#8]-[#6:9](-[#6:10])=[#8:11].[H]-[#7:8]-[#6:7]

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-R5480

Full Reaction Rendering

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