EVODEX.1-P4740 - Partial Reaction

SMIRKS

[H]N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)[N:7]([C@@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([C:15](=[O:16])[O:17][H:28])[H:29])[H:27]>>[H][N:7]([C@@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])([C:15](=[O:16])[O:17][H:28])[H:29])[H:27]

Derived Operators

EVODEX.1-F278 - Elemental Balance

O	-1
C	-5
N	-1
H	-7

EVODEX.1-M142 - Mass Difference

-97.05281

EVODEX.1-E1031 - Reaction Operator E

[#7:27](-[#6@:19])(-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[H])-[H:62]>>[#7:27](-[#6@:19])(-[H:62])-[H]

EVODEX.1-C563 - Reaction Operator C

[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:4]>>[H]-[#7:4]

EVODEX.1-N716 - Reaction Operator N

[H]-[#7]1-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-1(-[H])-[#6](=[#8])-[#7:4](-[#6:5])-[H:29]>>[H]-[#7:4](-[#6:5])-[H:29]

EVODEX.1-Em1 - Reaction Operator Em

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

EVODEX.1-Cm1 - Reaction Operator Cm

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

EVODEX.1-Nm1 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R5554

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