SMIRKS
[H]OC(=O)C([H])([H])N([H])[C:29]([C:2]([C:1]([H:83])([H:84])[H:85])([C:3]([C:4]([C:5]([C@:6]([C:7]([H:37])([H:38])[H:39])([C@@:8]1([H:40])[C:9]([H:41])([H:42])[C:10]([H:43])([H:44])[C@@:11]2([H:45])[C@:12]3([H:46])[C@@:13]([O:14][H:47])([H:48])[C:15]([H:49])([H:50])[C@:16]4([H:51])[C:17]([H:52])([H:53])[C@@:18]([O:19][H:54])([H:55])[C:20]([H:56])([H:57])[C:21]([H:58])([H:59])[C@:22]4([C:23]([H:60])([H:61])[H:62])[C@@:24]3([H:63])[C:25]([H:64])([H:65])[C:26]([H:66])([H:67])[C@:27]12[C:28]([H:68])([H:69])[H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[H:82])=[O:30].[H][O:36][H:86]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([C:7]([H:37])([H:38])[H:39])([C@@:8]1([H:40])[C:9]([H:41])([H:42])[C:10]([H:43])([H:44])[C@@:11]2([H:45])[C@:12]3([H:46])[C@@:13]([O:14][H:47])([H:48])[C:15]([H:49])([H:50])[C@:16]4([H:51])[C:17]([H:52])([H:53])[C@@:18]([O:19][H:54])([H:55])[C:20]([H:56])([H:57])[C:21]([H:58])([H:59])[C@:22]4([C:23]([H:60])([H:61])[H:62])[C@@:24]3([H:63])[C:25]([H:64])([H:65])[C:26]([H:66])([H:67])[C@:27]12[C:28]([H:68])([H:69])[H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([C:29](=[O:30])[O:36][H:86])[H:82])([H:83])([H:84])[H:85]
Derived Operators
EVODEX.1-F434 - Elemental Balance
| C | -2 |
| N | -1 |
| O | -2 |
| H | -5 |
EVODEX.1-M579 - Mass Difference
-75.03205000000001
EVODEX.1-E990 - Reaction Operator E
[#6:7]-[#6:8](=[#8:9])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H].[#8:1](-[H:26])-[H]>>[#8:1](-[#6:8](-[#6:7])=[#8:9])-[H:26]
EVODEX.1-C544 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:29].[H]-[#8:36]>>[#6:29]-[#8:36]
EVODEX.1-N695 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:29](-[#6:2])=[#8:30].[H]-[#8:36]-[H:86]>>[#6:2]-[#6:29](=[#8:30])-[#8:36]-[H:86]
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-R6337
[C:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([C:7]([H:37])([H:38])[H:39])([C@@:8]1([H:40])[C:9]([H:41])([H:42])[C:10]([H:43])([H:44])[C@@:11]2([H:45])[C@:12]3([H:46])[C@@:13]([O:14][H:47])([H:48])[C:15]([H:49])([H:50])[C@:16]4([H:51])[C:17]([H:52])([H:53])[C@@:18]([O:19][H:54])([H:55])[C:20]([H:56])([H:57])[C:21]([H:58])([H:59])[C@:22]4([C:23]([H:60])([H:61])[H:62])[C@@:24]3([H:63])[C:25]([H:64])([H:65])[C:26]([H:66])([H:67])[C@:27]12[C:28]([H:68])([H:69])[H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([C:29](=[O:30])[N:31]([C:32]([C:33](=[O:34])[O:35][H:78])([H:79])[H:80])[H:81])[H:82])([H:83])([H:84])[H:85].[H][O:36][H:86]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([C:7]([H:37])([H:38])[H:39])([C@@:8]1([H:40])[C:9]([H:41])([H:42])[C:10]([H:43])([H:44])[C@@:11]2([H:45])[C@:12]3([H:46])[C@@:13]([O:14][H:47])([H:48])[C:15]([H:49])([H:50])[C@:16]4([H:51])[C:17]([H:52])([H:53])[C@@:18]([O:19][H:54])([H:55])[C:20]([H:56])([H:57])[C:21]([H:58])([H:59])[C@:22]4([C:23]([H:60])([H:61])[H:62])[C@@:24]3([H:63])[C:25]([H:64])([H:65])[C:26]([H:66])([H:67])[C@:27]12[C:28]([H:68])([H:69])[H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([C:29](=[O:30])[O:36][H:86])[H:82])([H:83])([H:84])[H:85].[H][N:31]([C:32]([C:33](=[O:34])[O:35][H:78])([H:79])[H:80])[H:81]