EVODEX.1-P5011 - Partial Reaction

SMIRKS

[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:5]([C@@:4]([C:3]([H:63])([H:64])[H:65])([C:25](=[O:26])[N:27]1[C:28]([H:54])([H:55])[C:29]([H:56])([H:57])[C:30]([H:58])([H:59])[C@:31]1([C:32](=[O:33])[O:34][H:60])[H:61])[H:62])[H:53])N([H])C(=O)OC([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:5]([C@@:4]([C:3]([H:63])([H:64])[H:65])([C:25](=[O:26])[N:27]1[C:28]([H:54])([H:55])[C:29]([H:56])([H:57])[C:30]([H:58])([H:59])[C@:31]1([C:32](=[O:33])[O:34][H:60])[H:61])[H:62])[H:53]

Derived Operators

EVODEX.1-F507 - Elemental Balance

C	-13
O	-5
N	-1
H	-13

EVODEX.1-M480 - Mass Difference

-263.07939

EVODEX.1-E1325 - Reaction Operator E

[#7:5](-[#6@:4])(-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#8]-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])-[H])-[H:55]>>[#7:5](-[#6@:4])(-[H:55])-[H]

EVODEX.1-C616 - Reaction Operator C

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

EVODEX.1-N771 - Reaction Operator N

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5](-[#6@@:4])-[H:53])-[#7](-[H])-[#6](=[#8])-[#8]-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:5](-[#6@@:4])-[H:53]

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-R5793

[H][O:2][C:1]([H:36])([H:37])[H:38].[C:3]([C@:4]([N:5]([C:6](=[O:7])[C@:8]([C:9]([C:10]([C:11](=[O:12])[O:13][H:39])([H:40])[H:41])([H:42])[H:43])([N:14]([C:15](=[O:16])[O:17][C:18]([C:19]1:[C:20]([H:44]):[C:21]([H:45]):[C:22]([H:46]):[C:23]([H:47]):[C:24]:1[H:48])([H:49])[H:50])[H:51])[H:52])[H:53])([C:25](=[O:26])[N:27]1[C:28]([H:54])([H:55])[C:29]([H:56])([H:57])[C:30]([H:58])([H:59])[C@:31]1([C:32](=[O:33])[O:34][H:60])[H:61])[H:62])([H:63])([H:64])[H:65]>>[C:1]([O:2][C:6](=[O:7])[C@:8]([C:9]([C:10]([C:11](=[O:12])[O:13][H:39])([H:40])[H:41])([H:42])[H:43])([N:14]([C:15](=[O:16])[O:17][C:18]([C:19]1:[C:20]([H:44]):[C:21]([H:45]):[C:22]([H:46]):[C:23]([H:47]):[C:24]:1[H:48])([H:49])[H:50])[H:51])[H:52])([H:36])([H:37])[H:38].[H][N:5]([C@@:4]([C:3]([H:63])([H:64])[H:65])([C:25](=[O:26])[N:27]1[C:28]([H:54])([H:55])[C:29]([H:56])([H:57])[C:30]([H:58])([H:59])[C@:31]1([C:32](=[O:33])[O:34][H:60])[H:61])[H:62])[H:53]