SMIRKS
[H]C1:C([H]):C([H]):C(C([H])([H])OC(=O)N([H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C(=O)[N:14]([C:13]2:[C:12]([H:41]):[C:11]([H:40]):[C:10]3:[O:9]:[C:7](=[O:8]):[C:6]([H:39]):[C:5]([C:4]([C:2]([N:1]([H:63])[H:64])=[O:3])([H:61])[H:62]):[C:37]:3:[C:36]:2[H:60])[H:59]):C([H]):C:1[H]>>[H][N:14]([C:13]1:[C:12]([H:41]):[C:11]([H:40]):[C:10]2:[O:9]:[C:7](=[O:8]):[C:6]([H:39]):[C:5]([C:4]([C:2]([N:1]([H:63])[H:64])=[O:3])([H:61])[H:62]):[C:37]:2:[C:36]:1[H:60])[H:59]
Derived Operators
EVODEX.1-F506 - Elemental Balance
| O | -4 |
| C | -15 |
| N | -2 |
| H | -16 |
EVODEX.1-M479 - Mass Difference
-288.11107999999996
EVODEX.1-E1324 - Reaction Operator E
[#6:13]-[#7:14](-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[#6](=[#8])-[#6](-[#7](-[#6](=[#8])-[#8]-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])(-[H])-[H])-[H:59]>>[#6:13]-[#7:14](-[H:59])-[H]
EVODEX.1-C611 - Reaction Operator C
[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7]2-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-2(-[H])-[#6](=[#8])-[#7:14]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:14]
EVODEX.1-N766 - Reaction Operator N
[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7]2-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@]-2(-[H])-[#6](=[#8])-[#7:14](-[#6:13])-[H:59]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:14](-[#6:13])-[H:59]
Source Full Reactions
EVODEX.1-R5819
[N:1]([C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:39]):[C:7](=[O:8]):[O:9]:[C:10]2:[C:11]([H:40]):[C:12]([H:41]):[C:13]([N:14]([C:15](=[O:16])[C@:17]3([H:42])[C:18]([H:43])([H:44])[C:19]([H:45])([H:46])[C:20]([H:47])([H:48])[N:21]3[C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[O:28][C:29]([C:30]3:[C:31]([H:49]):[C:32]([H:50]):[C:33]([H:51]):[C:34]([H:52]):[C:35]:3[H:53])([H:54])[H:55])[H:56])([H:57])[H:58])[H:59]):[C:36]([H:60]):[C:37]:1:2)([H:61])[H:62])([H:63])[H:64].[H][O:38][H:65]>>[C:15](=[O:16])([C@:17]1([H:42])[C:18]([H:43])([H:44])[C:19]([H:45])([H:46])[C:20]([H:47])([H:48])[N:21]1[C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[O:28][C:29]([C:30]1:[C:31]([H:49]):[C:32]([H:50]):[C:33]([H:51]):[C:34]([H:52]):[C:35]:1[H:53])([H:54])[H:55])[H:56])([H:57])[H:58])[O:38][H:65].[H][N:14]([C:13]1:[C:12]([H:41]):[C:11]([H:40]):[C:10]2:[O:9]:[C:7](=[O:8]):[C:6]([H:39]):[C:5]([C:4]([C:2]([N:1]([H:63])[H:64])=[O:3])([H:61])[H:62]):[C:37]:2:[C:36]:1[H:60])[H:59]