SMIRKS
[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[C:26]([C@@:18]([N:17]([C:15]([C@@:9]([N:8]([C:6]([C@:4]([C:2]([C:1]([H:85])([H:86])[H:87])([C:3]([H:41])([H:42])[H:43])[H:84])([N:5]([H:44])[H:45])[H:83])=[O:7])[H:82])([C:10]([C:11]([C:12]([C:13]([N:14]([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])[H:81])=[O:16])[H:80])([C:19]([C:20]([C:21]([N:22]([C:23](=[N:24][H:56])[N:25]([H:57])[H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])[H:79])=[O:27].[H][O:40][H:88]>>[C:1]([C:2]([C:3]([H:41])([H:42])[H:43])([C@:4]([N:5]([H:44])[H:45])([C:6](=[O:7])[N:8]([C@@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([C:15](=[O:16])[N:17]([C@@:18]([C:19]([C:20]([C:21]([N:22]([C:23](=[N:24][H:56])[N:25]([H:57])[H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([C:26](=[O:27])[O:40][H:88])[H:79])[H:80])[H:81])[H:82])[H:83])[H:84])([H:85])([H:86])[H:87]
Derived Operators
EVODEX.1-F440 - Elemental Balance
| C | -6 |
| N | -4 |
| O | -2 |
| H | -14 |
EVODEX.1-M423 - Mass Difference
-174.11182000000002
EVODEX.1-E1249 - Reaction Operator E
[#6:1]-[#6:2](=[#8:3])-[#7](-[#6@@](-[#6](-[#6](-[#6](-[#7](-[#6](=[#7]-[H])-[#7](-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:16](-[H:33])-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:16]-[H:33]
EVODEX.1-C1010 - Reaction Operator C
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:26].[H]-[#8:40]>>[#6:26]-[#8:40]
EVODEX.1-N1263 - Reaction Operator N
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:26](-[#6@@:18])=[#8:27].[H]-[#8:40]-[H:88]>>[#6:26](-[#6@@:18])(=[#8:27])-[#8:40]-[H:88]
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-R5938
[C:1]([C:2]([C:3]([H:41])([H:42])[H:43])([C@:4]([N:5]([H:44])[H:45])([C:6](=[O:7])[N:8]([C@@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([C:15](=[O:16])[N:17]([C@@:18]([C:19]([C:20]([C:21]([N:22]([C:23](=[N:24][H:56])[N:25]([H:57])[H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([C:26](=[O:27])[N:28]([C@@:29]([C:30]([C:31]([C:32]([N:33]([C:34](=[N:35][H:66])[N:36]([H:67])[H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([C:37](=[O:38])[O:39][H:76])[H:77])[H:78])[H:79])[H:80])[H:81])[H:82])[H:83])[H:84])([H:85])([H:86])[H:87].[H][O:40][H:88]>>[C:1]([C:2]([C:3]([H:41])([H:42])[H:43])([C@:4]([N:5]([H:44])[H:45])([C:6](=[O:7])[N:8]([C@@:9]([C:10]([C:11]([C:12]([C:13]([N:14]([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([C:15](=[O:16])[N:17]([C@@:18]([C:19]([C:20]([C:21]([N:22]([C:23](=[N:24][H:56])[N:25]([H:57])[H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([C:26](=[O:27])[O:40][H:88])[H:79])[H:80])[H:81])[H:82])[H:83])[H:84])([H:85])([H:86])[H:87].[H][N:28]([C@@:29]([C:30]([C:31]([C:32]([N:33]([C:34](=[N:35][H:66])[N:36]([H:67])[H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([C:37](=[O:38])[O:39][H:76])[H:77])[H:78]