EVODEX Logo

EVODEX.1-P4652

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])C([H])([H])C([H])([H])C(=O)[N:16]([C:15]1:[C:14]([H:30]):[C:13]2:[O:12]:[C:11]3:[C:10]([H:29]):[C:8](=[O:9]):[C:7]([H:28]):[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:48])([H:49])[H:50])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41]):[C:26]3:[N:25]:[C:24]:2:[C:23]([H:39]):[C:22]:1[H:38])[H:37]>>[H][N:16]([C:15]1:[C:14]([H:30]):[C:13]2:[O:12]:[C:11]3:[C:10]([H:29]):[C:8](=[O:9]):[C:7]([H:28]):[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:48])([H:49])[H:50])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41]):[C:26]3:[N:25]:[C:24]:2:[C:23]([H:39]):[C:22]:1[H:38])[H:37]

Derived Operators

EVODEX.1-F138 - Elemental Balance

O-1
C-3
N-1
H-5

EVODEX.1-M45 - Mass Difference

-71.03715000000001

EVODEX.1-E791 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:6](-[#6@:5])(-[#6](=[#8])-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])-[H:25]>>[#7:6](-[#6@:5])(-[H:25])-[H]

EVODEX.1-C571 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N725 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6](-[#6@@:7])-[H:28]>>[H]-[#7:6](-[#6@@:7])-[H:28]

EVODEX.1-Em1 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R5473

Full Reaction Rendering

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