EVODEX.1-P4917 - Partial Reaction

SMIRKS

[H]C1:C([H]):C([H]):C(C(=O)N([H])C([H])([H])C(=O)[N:8]([C@@:7]([C:6]([C:5]([C:3](=[O:2])[O:4][H:24])([H:38])[H:39])([H:36])[H:37])([C:21](=[O:22])[O:23][H:34])[H:35])[H:33]):C([H]):C:1[H]>>[H][N:8]([C@@:7]([C:6]([C:5]([C:3](=[O:2])[O:4][H:24])([H:38])[H:39])([H:36])[H:37])([C:21](=[O:22])[O:23][H:34])[H:35])[H:33]

Derived Operators

EVODEX.1-F244 - Elemental Balance

C	-9
O	-2
N	-1
H	-7

EVODEX.1-M301 - Mass Difference

-161.04771

EVODEX.1-E968 - Reaction Operator E

[#7:3](-[#6@:2])(-[#6](=[#8])-[#6](-[#7](-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[H])(-[H])-[H])-[H:37]>>[#7:3](-[#6@:2])(-[H:37])-[H]

EVODEX.1-C605 - Reaction Operator C

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

EVODEX.1-N762 - Reaction Operator N

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:8](-[#6@@:7])-[H:33]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:8](-[#6@@:7])-[H:33]

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-R5706

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