SMIRKS
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:4]([H:51])([H:52])[H:53])[H:58])([C:7](=[O:8])[O:9][H:56])[H:57])[H:54].[N:20]([C:21]1:[N:22]:[C:23]([H:74]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:75]):[N:29]:2[C@:30]1([H:76])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:77])[O:38][P:39](=[O:40])([O:41][H:78])[O:42][P:43](=[O:44])([O:45][H:79])[O:46][H:80])([H:81])[H:82])([H:83])[C@:47]([O:48][H:84])([H:85])[C@:49]1([O:50][H:86])[H:87])([H:88])[H:89]>>[H]N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:4]([H:51])([H:52])[H:53])[H:58])([C:7](=[O:8])[O:9][H:56])[H:57])[H:54])N([H])[H].[H]O[P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:83])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:74]):[N:22]:[C:21]([N:20]([H:88])[H:89]):[C:26]:3:[N:27]:[C:28]:2[H:75])([H:76])[C@@:49]([O:50][H:86])([H:87])[C@@:47]1([O:48][H:84])[H:85])([H:81])[H:82])(=[O:36])[O:37][H:77])(=[O:40])[O:41][H:78].[H][O:42][P:43](=[O:44])([O:45][H:79])[O:46][H:80]
Derived Operators
EVODEX.1-F316 - Elemental Balance
| O | 3 |
| C | 5 |
| N | 2 |
| H | 10 |
EVODEX.1-M147 - Mass Difference
146.06920000000002
EVODEX.1-E1092 - Reaction Operator E
[#7:11](-[#6@@:12])(-[H:67])-[H].([#8:44]-[#15:45](=[#8:46])(-[#8:47])-[#8:48]-[#15:49].[#8:54]-[#6@@:53](-[#6@@:38])(-[H:90])-[#6@:55](-[#6@:36])(-[#8:56])-[H:92])>>[#7](-[#6](=[#8])-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:11](-[#6@@:12])-[H:67])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H].([#8](-[#15:45](-[#8:44])(=[#8:46])-[#8:47])-[H].[#8:56]-[#6@:55](-[#6@:36])(-[H:92])-[#6@@:53](-[#6@@:38])(-[#8:54])-[H:90]).[#8:48](-[#15:49])-[H]
EVODEX.1-C829 - Reaction Operator C
[H]-[#7:5].([#15:38]-[#8:41].[#6@:46]-[#6@:48])>>[H]-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5])-[#7](-[H])-[H].([H]-[#8]-[#15:38].[#6@@:48]-[#6@@:46]).[H]-[#8:41]
EVODEX.1-N1040 - Reaction Operator N
[H]-[#7:5](-[#6@@:4])-[H:53].([#8:37]-[#15:38](=[#8:39])(-[#8:40])-[#8:41]-[#15:42].[#8:47]-[#6@@:46](-[#6@@:31])(-[H:72])-[#6@:48](-[#6@:29])(-[#8:49])-[H:74])>>[H]-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5](-[#6@@:4])-[H:53])-[#7](-[H])-[H].([H]-[#8]-[#15:38](-[#8:37])(=[#8:39])-[#8:40].[#8:49]-[#6@:48](-[#6@:29])(-[H:74])-[#6@@:46](-[#6@@:31])(-[#8:47])-[H:72]).[H]-[#8:41]-[#15:42]
EVODEX.1-Em22 - Reaction Operator Em
[H]-[#7:47]-[#6:46].[#8:73]-[#15:74](=[#8:75])(-[#8:76])-[#8:77]-[#15:78]>>[#6]-[#6](=[#8])-[#7:47]-[#6:46].[H]-[#8]-[#15:74](-[#8:73])(=[#8:75])-[#8:76].[H]-[#8:77]-[#15:78]
EVODEX.1-Cm36 - Reaction Operator Cm
[H]-[#7:47].[#15:74]-[#8:77]>>[#6]-[#7:47].[#8]-[#15:74].[H]-[#8:77]
EVODEX.1-Nm22 - Reaction Operator Nm
[H]-[#7:47]-[#6:46].[#8:73]-[#15:74](=[#8:75])(-[#8:76])-[#8:77]-[#15:78]>>[#6]-[#6](=[#8])-[#7:47]-[#6:46].[H]-[#8]-[#15:74](-[#8:73])(=[#8:75])-[#8:76].[H]-[#8:77]-[#15:78]
Source Full Reactions
EVODEX.1-R7765
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([C:4]([H:51])([H:52])[H:53])[H:58])([C:7](=[O:8])[O:9][H:56])[H:57])[H:54].[N:10]([C:11](=[O:12])[C:13]([C:14]([C@:15]([N:16]([H:64])[H:65])([C:17](=[O:18])[O:19][H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73].[N:20]([C:21]1:[N:22]:[C:23]([H:74]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:75]):[N:29]:2[C@:30]1([H:76])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:77])[O:38][P:39](=[O:40])([O:41][H:78])[O:42][P:43](=[O:44])([O:45][H:79])[O:46][H:80])([H:81])[H:82])([H:83])[C@:47]([O:48][H:84])([H:85])[C@:49]1([O:50][H:86])[H:87])([H:88])[H:89]>>[C:1]([C:2]([C@:3]([C:4]([H:51])([H:52])[H:53])([C@:5]([N:6]([C:17]([C@:15]([C:14]([C:13]([C:11]([N:10]([H:72])[H:73])=[O:12])([H:70])[H:71])([H:68])[H:69])([N:16]([H:64])[H:65])[H:67])=[O:18])[H:54])([C:7](=[O:8])[O:9][H:56])[H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[O:19]([P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:83])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:74]):[N:22]:[C:21]([N:20]([H:88])[H:89]):[C:26]:3:[N:27]:[C:28]:2[H:75])([H:76])[C@@:49]([O:50][H:86])([H:87])[C@@:47]1([O:48][H:84])[H:85])([H:81])[H:82])(=[O:36])[O:37][H:77])(=[O:40])[O:41][H:78])[H:66].[H][O:42][P:43](=[O:44])([O:45][H:79])[O:46][H:80]