SMIRKS
[H][N:6]([C@@:5]([C:4]([C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])([C:7](=[O:8])[O:9][H:53])[H:54])[H:51].[H]O[C:14]([C:13]([C:12]([C@:11]([N:10]([H:71])[H:72])([C:17](=[O:18])[O:19][H:69])[H:70])([H:67])[H:68])([H:65])[H:66])=[O:15].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:42][P:43](=[O:44])([O:45][H:78])[O:46][H:79]>>[C:1]([C:2]([C:3]([C:4]([C@:5]([N:6]([C:14]([C:13]([C:12]([C@:11]([N:10]([H:71])[H:72])([C:17](=[O:18])[O:19][H:69])[H:70])([H:67])[H:68])([H:65])[H:66])=[O:15])[H:51])([C:7](=[O:8])[O:9][H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[H][O:42][P:43](=[O:44])([O:45][H:78])[O:46][H:79]
Derived Operators
EVODEX.1-F125 - Elemental Balance
| P | -2 |
| O | -10 |
| C | -10 |
| N | -5 |
| H | -15 |
EVODEX.1-M11 - Mass Difference
-427.02955
EVODEX.1-E766 - Reaction Operator E
[#7:11]-[#6@@:12](-[#6:13]-[#6:14]-[#6:15](=[#8:16])-[#8]-[H])(-[#6:18])-[H:58].[#7:1](-[#6:2])(-[H:70])-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:43]-[#15:44])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#7:1](-[#6:2])(-[#6:15](-[#6:14]-[#6:13]-[#6@:12](-[#7:11])(-[#6:18])-[H:58])=[#8:16])-[H:70].[#8:43](-[#15:44])-[H]
EVODEX.1-C807 - Reaction Operator C
[H]-[#7:6]-[#6@@:5].[H]-[#8]-[#6:19].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:44]>>[#7:6](-[#6@:5])-[#6:19].[H]-[#8:44]
EVODEX.1-N1018 - Reaction Operator N
[H]-[#7:6](-[#6@@:5](-[#6:4])(-[#6:7])-[H:56])-[H:53].[H]-[#8]-[#6:19](-[#6@@:11])=[#8:20].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:44]-[#15:45]>>[#6:4]-[#6@:5](-[#7:6](-[#6:19](-[#6@@:11])=[#8:20])-[H:53])(-[#6:7])-[H:56].[H]-[#8:44]-[#15:45]
EVODEX.1-Em40 - Reaction Operator Em
[H]-[#8]-[#6:46](-[#6:44])=[#8:47].[H]-[#7:49]-[#6:50].[#8]-[#15](=[#8])(-[#8])-[#8:81]-[#15:78]>>[#6:44]-[#6:46](=[#8:47])-[#7:49]-[#6:50].[H]-[#8:81]-[#15:78]
EVODEX.1-Cm59 - Reaction Operator Cm
[#8]-[#6:46].[H]-[#7:49].[#15]-[#8:81]>>[#6:46]-[#7:49].[H]-[#8:81]
EVODEX.1-Nm45 - Reaction Operator Nm
[H]-[#8]-[#6:46](-[#6:44])=[#8:47].[H]-[#7:49]-[#6:50].[#8]-[#15](=[#8])(-[#8])-[#8:81]-[#15:78]>>[#6:44]-[#6:46](=[#8:47])-[#7:49]-[#6:50].[H]-[#8:81]-[#15:78]
Source Full Reactions
EVODEX.1-R7675
[H][N:6]([C@@:5]([C:4]([C:3]([C:2]([C:1]([H:61])([H:62])[H:63])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])([C:7](=[O:8])[O:9][H:53])[H:54])[H:51].[N:10]([C@@:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:64])([H:65])[H:66])([H:67])[H:68])([C:17](=[O:18])[O:19][H:69])[H:70])([H:71])[H:72].[N:20]([C:21]1:[N:22]:[C:23]([H:73]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:74]):[N:29]:2[C@:30]1([H:75])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:76])[O:38][P:39](=[O:40])([O:41][H:77])[O:42][P:43](=[O:44])([O:45][H:78])[O:46][H:79])([H:80])[H:81])([H:82])[C@:47]([O:48][H:83])([H:84])[C@:49]1([O:50][H:85])[H:86])([H:87])[H:88]>>[C:1]([C:2]([C:3]([C:4]([C@:5]([N:6]([C:14]([C:13]([C:12]([C@:11]([N:10]([H:71])[H:72])([C:17](=[O:18])[O:19][H:69])[H:70])([H:67])[H:68])([H:65])[H:66])=[O:15])[H:51])([C:7](=[O:8])[O:9][H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63].[O:16]([P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:82])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:73]):[N:22]:[C:21]([N:20]([H:87])[H:88]):[C:26]:3:[N:27]:[C:28]:2[H:74])([H:75])[C@@:49]([O:50][H:85])([H:86])[C@@:47]1([O:48][H:83])[H:84])([H:80])[H:81])(=[O:36])[O:37][H:76])(=[O:40])[O:41][H:77])[H:64].[H][O:42][P:43](=[O:44])([O:45][H:78])[O:46][H:79]