SMIRKS
[H]C1:C(N([H])[C:15](=[O:16])[C@:17]2([H:42])[C:18]([H:43])([H:44])[C:19]([H:45])([H:46])[C:20]([H:47])([H:48])[N:21]2[C:22](=[O:23])[C:24]([N:25]([C:26](=[O:27])[O:28][C:29]([C:30]2:[C:31]([H:49]):[C:32]([H:50]):[C:33]([H:51]):[C:34]([H:52]):[C:35]:2[H:53])([H:54])[H:55])[H:56])([H:57])[H:58]):C([H]):C2:C(C([H])([H])C(=O)N([H])[H]):C([H]):C(=O):O:C:2:C:1[H]>>[H]O[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]
Derived Operators
EVODEX.1-F481 - Elemental Balance
| O | -2 |
| C | -11 |
| N | -2 |
| H | -8 |
EVODEX.1-M166 - Mass Difference
-200.05864
EVODEX.1-E1297 - Reaction Operator E
[#7](-[#6](=[#8])-[#6](-[#6]1:[#6](-[H]):[#6](=[#8]):[#8]:[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[#6:15](=[#8:16])-[#6@:17])-[H]):[#6](-[H]):[#6]:1:2)(-[H])-[H])(-[H])-[H]>>[#6:15](=[#8:16])(-[#6@:17])-[#8]-[H]
EVODEX.1-C632 - Reaction Operator C
[H]-[#6]1:[#6](-[#7](-[H])-[#6:15]):[#6](-[H]):[#6]2:[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]):[#6](-[H]):[#6](=[#8]):[#8]:[#6]:2:[#6]:1-[H]>>[H]-[#8]-[#6:15]
EVODEX.1-N787 - Reaction Operator N
[H]-[#6]1:[#6](-[#7](-[H])-[#6:15](=[#8:16])-[#6@:17]):[#6](-[H]):[#6]2:[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]):[#6](-[H]):[#6](=[#8]):[#8]:[#6]:2:[#6]:1-[H]>>[H]-[#8]-[#6:15](=[#8:16])-[#6@:17]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
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]