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:10](=[O:11])[C@:12]([C:13]([C:14]1:[C:15]([H:51]):[C:16]([H:52]):[C:17]([H:53]):[C:18]([H:54]):[C:19]:1[H:55])([H:56])[H:57])([N:20]([C:21](=[O:22])[C@:23]1([H:58])[C:24]([H:59])([H:60])[C:25]([H:61])([H:62])[C:26]([H:63])([H:64])[N:27]1[C:28](=[O:29])[C@:30]([C:31]([O:32][H:65])([H:66])[H:67])([N:33]([C:34](=[O:35])[C@@:36]([N:37]([H:68])[H:69])([C:38]([C:39]1:[C:40]([H:70]):[C:41]([H:71]):[C:42]([H:72]):[C:43]([H:73]):[C:44]:1[H:74])([H:75])[H:76])[H:77])[H:78])[H:79])[H:80])[H:81]>>[H]O[C:10](=[O:11])[C@:12]([C:13]([C:14]1:[C:15]([H:51]):[C:16]([H:52]):[C:17]([H:53]):[C:18]([H:54]):[C:19]:1[H:55])([H:56])[H:57])([N:20]([C:21](=[O:22])[C@:23]1([H:58])[C:24]([H:59])([H:60])[C:25]([H:61])([H:62])[C:26]([H:63])([H:64])[N:27]1[C:28](=[O:29])[C@:30]([C:31]([O:32][H:65])([H:66])[H:67])([N:33]([C:34](=[O:35])[C@@:36]([N:37]([H:68])[H:69])([C:38]([C:39]1:[C:40]([H:70]):[C:41]([H:71]):[C:42]([H:72]):[C:43]([H:73]):[C:44]:1[H:74])([H:75])[H:76])[H:77])[H:78])[H:79])[H:80])[H:81]
Derived Operators
EVODEX.1-F468 - Elemental Balance
| O | -1 |
| C | -6 |
| N | -4 |
| H | -12 |
EVODEX.1-M80 - Mass Difference
-156.10126
EVODEX.1-E1281 - 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]>>[#6:1]-[#6:2](=[#8:3])-[#8]-[H]
EVODEX.1-C573 - 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])-[#6:10]>>[H]-[#8]-[#6:10]
EVODEX.1-N728 - 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])-[#6:10](=[#8:11])-[#6@:12]>>[H]-[#8]-[#6:10](=[#8:11])-[#6@:12]
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-R5720
[N:1](=[C:2]([N:3]([H:49])[H:50])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([C:10](=[O:11])[C@:12]([C:13]([C:14]1:[C:15]([H:51]):[C:16]([H:52]):[C:17]([H:53]):[C:18]([H:54]):[C:19]:1[H:55])([H:56])[H:57])([N:20]([C:21](=[O:22])[C@:23]1([H:58])[C:24]([H:59])([H:60])[C:25]([H:61])([H:62])[C:26]([H:63])([H:64])[N:27]1[C:28](=[O:29])[C@:30]([C:31]([O:32][H:65])([H:66])[H:67])([N:33]([C:34](=[O:35])[C@@:36]([N:37]([H:68])[H:69])([C:38]([C:39]1:[C:40]([H:70]):[C:41]([H:71]):[C:42]([H:72]):[C:43]([H:73]):[C:44]:1[H:74])([H:75])[H:76])[H:77])[H:78])[H:79])[H:80])[H:81])[H:82])([C:45](=[O:46])[O:47][H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[H:90])[H:91])[H:92].[H][O:48][H:93]>>[C:10](=[O:11])([C@:12]([C:13]([C:14]1:[C:15]([H:51]):[C:16]([H:52]):[C:17]([H:53]):[C:18]([H:54]):[C:19]:1[H:55])([H:56])[H:57])([N:20]([C:21](=[O:22])[C@:23]1([H:58])[C:24]([H:59])([H:60])[C:25]([H:61])([H:62])[C:26]([H:63])([H:64])[N:27]1[C:28](=[O:29])[C@:30]([C:31]([O:32][H:65])([H:66])[H:67])([N:33]([C:34](=[O:35])[C@@:36]([N:37]([H:68])[H:69])([C:38]([C:39]1:[C:40]([H:70]):[C:41]([H:71]):[C:42]([H:72]):[C:43]([H:73]):[C:44]:1[H:74])([H:75])[H:76])[H:77])[H:78])[H:79])[H:80])[H:81])[O:48][H:93].[H][N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:92])[N:3]([H:49])[H:50])[H:91])([H:89])[H:90])([H:87])[H:88])([H:85])[H:86])([C:45](=[O:46])[O:47][H:83])[H:84])[H:82]