EVODEX.1-P5034

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E250 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:77]-[#6@@:78](-[#6:79])(-[#6:84](=[#8:85])-[#7:86](-[#6@@:87])-[H:413])-[H:414].[#8:221](-[H:429])-[H]>>[#7:77]-[#6:78](-[#6:79])(-[#6:84](=[#8:85])-[#8:221]-[H:429])-[H:414].[#7:86](-[#6@@:87])(-[H:413])-[H]

EVODEX.1-C908 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:13](-[#6@:12])-[#7:15].[H]-[#8:1]>>[H]-[#7:15].[#8:1]-[#6:13]-[#6@@:12]

EVODEX.1-N1140 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:8]-[#6@@:12](-[#6:11])(-[#6:13](=[#8:14])-[#7:15](-[#6:16])-[H:47])-[H:48].[H]-[#8:1]-[H:59]>>[H]-[#7:15](-[#6:16])-[H:47].[#8:1](-[#6:13](-[#6@@:12](-[H:48])(-[#7:8])-[#6:11])=[#8:14])-[H:59]

EVODEX.1-Em51 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#7:8]-[#6:9].[H]-[#8:15]>>[#6:5]-[#6:6](=[#8:7])-[#8:15].[H]-[#7:8]-[#6:9]

EVODEX.1-Cm24 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-Nm49 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:7]-[#6:8](=[#8:9])-[#7:10]-[#6:11].[H]-[#8:23]>>[#6:7]-[#6:8](=[#8:9])-[#8:23].[H]-[#7:10]-[#6:11]

Source Full Reactions

EVODEX.1-R5812

Full Reaction Rendering

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