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EVODEX.1-P4723

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])C([H])([H])C([H])([H])C(=O)[N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:55])([H:56])[H:57])([H:53])[H:54])([C:4]([H:29])([H:30])[H:31])[H:52])([C:12](=[O:13])[N:14]([C@:15]([C:16]([C:17](=[O:18])[O:19][H:39])([H:40])[H:41])([C:20]([C:21]1:[C:22]([H:42]):[C:23]([H:43]):[C:24]([O:25][H:44]):[C:26]([H:45]):[C:27]:1[H:46])([H:47])[H:48])[H:49])[H:50])[H:51])[H:38]>>[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:55])([H:56])[H:57])([H:53])[H:54])([C:4]([H:29])([H:30])[H:31])[H:52])([C:12](=[O:13])[N:14]([C@:15]([C:16]([C:17](=[O:18])[O:19][H:39])([H:40])[H:41])([C:20]([C:21]1:[C:22]([H:42]):[C:23]([H:43]):[C:24]([O:25][H:44]):[C:26]([H:45]):[C:27]:1[H:46])([H:47])[H:48])[H:49])[H:50])[H:51])[H:38]

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-R5540

Full Reaction Rendering

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