EVODEX.1-P5551 - Partial Reaction

SMIRKS

[H]C1:C([H]):C([H]):C(C([H])([H])OC(=O)[N:7]([C:6]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:40])[H:41])([C:18](=[O:19])[O:20][H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])[H:29]):C([H]):C:1[H]>>[H][N:7]([C:6]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:40])[H:41])([C:18](=[O:19])[O:20][H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])[H:29]

Derived Operators

EVODEX.1-F75 - Elemental Balance

O	-2
C	-8
H	-6

EVODEX.1-M218 - Mass Difference

-134.03678

EVODEX.1-E642 - Reaction Operator E

[#8]=[#6](-[#7:4](-[#6@@:5])-[H:34])-[#8]-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H]>>[#7:4](-[#6@@:5])(-[H:34])-[H]

EVODEX.1-C619 - Reaction Operator C

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

EVODEX.1-N774 - Reaction Operator N

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:31]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:6](-[#6@@:5])-[H:31]

EVODEX.1-Em128 - Reaction Operator Em

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

EVODEX.1-Cm1 - Reaction Operator Cm

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

EVODEX.1-Nm162 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R6289

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