SMIRKS
[H]C1:C(N([H])[C:15](=[O:16])[C@:17]2([H:47])[C:18]([H:48])([H:49])[C:19]([H:50])([H:51])[C:20]([H:52])([H:53])[N:21]2[C:22](=[O:23])[C@:24]([C:25]([C:26]([C:27](=[O:28])[O:29][H:54])([H:55])[H:56])([H:57])[H:58])([N:30]([C:31](=[O:32])[O:33][C:34]([C:35]2:[C:36]([H:59]):[C:37]([H:60]):[C:38]([H:61]):[C:39]([H:62]):[C:40]:2[H:63])([H:64])[H:65])[H:66])[H:67]):C([H]):C2:C(C([H])([H])C(=O)N([H])[H]):C([H]):C(=O):O:C:2:C:1[H].[H][O:43][H:74]>>[C:15](=[O:16])([C@:17]1([H:47])[C:18]([H:48])([H:49])[C:19]([H:50])([H:51])[C:20]([H:52])([H:53])[N:21]1[C:22](=[O:23])[C@:24]([C:25]([C:26]([C:27](=[O:28])[O:29][H:54])([H:55])[H:56])([H:57])[H:58])([N:30]([C:31](=[O:32])[O:33][C:34]([C:35]1:[C:36]([H:59]):[C:37]([H:60]):[C:38]([H:61]):[C:39]([H:62]):[C:40]:1[H:63])([H:64])[H:65])[H:66])[H:67])[O:43][H:74]
Derived Operators
EVODEX.1-F480 - Elemental Balance
| C | -11 |
| O | -3 |
| N | -2 |
| H | -10 |
EVODEX.1-M165 - Mass Difference
-218.0692
EVODEX.1-E1295 - 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].[#8:46](-[H:79])-[H]>>[#6:15](=[#8:16])(-[#6@:17])-[#8:46]-[H:79]
EVODEX.1-C1013 - 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]-[#8:48]>>[#6:15]-[#8:48]
EVODEX.1-N1266 - 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]-[#8:48]-[H:82]>>[#6:15](=[#8:16])(-[#6@:17])-[#8:48]-[H:82]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5818
[N:1]([C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:44]):[C:7](=[O:8]):[O:9]:[C:10]2:[C:11]([H:45]):[C:12]([H:46]):[C:13]([N:14]([C:15](=[O:16])[C@:17]3([H:47])[C:18]([H:48])([H:49])[C:19]([H:50])([H:51])[C:20]([H:52])([H:53])[N:21]3[C:22](=[O:23])[C@:24]([C:25]([C:26]([C:27](=[O:28])[O:29][H:54])([H:55])[H:56])([H:57])[H:58])([N:30]([C:31](=[O:32])[O:33][C:34]([C:35]3:[C:36]([H:59]):[C:37]([H:60]):[C:38]([H:61]):[C:39]([H:62]):[C:40]:3[H:63])([H:64])[H:65])[H:66])[H:67])[H:68]):[C:41]([H:69]):[C:42]:1:2)([H:70])[H:71])([H:72])[H:73].[H][O:43][H:74]>>[C:15](=[O:16])([C@:17]1([H:47])[C:18]([H:48])([H:49])[C:19]([H:50])([H:51])[C:20]([H:52])([H:53])[N:21]1[C:22](=[O:23])[C@:24]([C:25]([C:26]([C:27](=[O:28])[O:29][H:54])([H:55])[H:56])([H:57])[H:58])([N:30]([C:31](=[O:32])[O:33][C:34]([C:35]1:[C:36]([H:59]):[C:37]([H:60]):[C:38]([H:61]):[C:39]([H:62]):[C:40]:1[H:63])([H:64])[H:65])[H:66])[H:67])[O:43][H:74].[H][N:14]([C:13]1:[C:12]([H:46]):[C:11]([H:45]):[C:10]2:[O:9]:[C:7](=[O:8]):[C:6]([H:44]):[C:5]([C:4]([C:2]([N:1]([H:72])[H:73])=[O:3])([H:70])[H:71]):[C:42]:2:[C:41]:1[H:69])[H:68]