SMIRKS
[H][N:8]([C@@:7]([C:6]([C:5]1:[N:4]:[C:3]([H:50]):[N:2]([C:1]([H:58])([H:59])[H:60]):[C:12]:1[H:57])([H:55])[H:56])([C:9](=[O:10])[O:11][H:53])[H:54])[H:51].[H]O[C:16]([C:15]([C:14]([N:13]([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])=[O:17].[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])[O:37][P:38](=[O:39])([O:40][H:72])[O:41][P:42](=[O:43])([O:44][H:73])[O:45][H:74]>>[C:1]([N:2]1:[C:3]([H:50]):[N:4]:[C:5]([C:6]([C@:7]([N:8]([C:16]([C:15]([C:14]([N:13]([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])=[O:17])[H:51])([C:9](=[O:10])[O:11][H:53])[H:54])([H:55])[H:56]):[C:12]:1[H:57])([H:58])([H:59])[H:60].[H][O:37][P:38](=[O:39])([O:40][H:72])[O:41][P:42](=[O:43])([O:44][H:73])[O:45][H:74]
Derived Operators
EVODEX.1-F113 - Elemental Balance
| P | -1 |
| O | -7 |
| C | -10 |
| N | -5 |
| H | -14 |
EVODEX.1-M24 - Mass Difference
-347.06321999999994
EVODEX.1-E725 - Reaction Operator E
[#7:121](-[#6@@:120])(-[H:267])-[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])-[#8:182]-[#15:183])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#8:195]=[#6:196](-[#8]-[H])-[#6:198]>>[#7:121](-[#6@@:120])(-[#6:196](=[#8:195])-[#6:198])-[H:267].[#8:182](-[#15:183])-[H]
EVODEX.1-C1026 - Reaction Operator C
[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])-[#8:34].[H]-[#8]-[#6:4].[H]-[#7:12]-[#6@@:11]>>[#6:4]-[#7:12]-[#6@:11].[H]-[#8:34]
EVODEX.1-N1280 - Reaction Operator N
[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])-[#8:34]-[#15:35].[H]-[#8]-[#6:4](-[#6:3])=[#8:5].[H]-[#7:12](-[#6@@:11](-[#6:10])(-[#6:13])-[H:73])-[H:70]>>[#6:3]-[#6:4](=[#8:5])-[#7:12](-[#6@:11](-[#6:10])(-[#6:13])-[H:73])-[H:70].[H]-[#8:34]-[#15:35]
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-R7572
[H][N:8]([C@@:7]([C:6]([C:5]1:[N:4]:[C:3]([H:50]):[N:2]([C:1]([H:58])([H:59])[H:60]):[C:12]:1[H:57])([H:55])[H:56])([C:9](=[O:10])[O:11][H:53])[H:54])[H:51].[N:13]([C:14]([C:15]([C:16](=[O:17])[O:18][H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67].[N:19]([C:20]1:[N:21]:[C:22]([H:68]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:69]):[N:28]:2[C@:29]1([H:70])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:71])[O:37][P:38](=[O:39])([O:40][H:72])[O:41][P:42](=[O:43])([O:44][H:73])[O:45][H:74])([H:75])[H:76])([H:77])[C@:46]([O:47][H:78])([H:79])[C@:48]1([O:49][H:80])[H:81])([H:82])[H:83]>>[C:1]([N:2]1:[C:3]([H:50]):[N:4]:[C:5]([C:6]([C@:7]([N:8]([C:16]([C:15]([C:14]([N:13]([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])=[O:17])[H:51])([C:9](=[O:10])[O:11][H:53])[H:54])([H:55])[H:56]):[C:12]:1[H:57])([H:58])([H:59])[H:60].[O:18]([P:34]([O:33][C:32]([C@:31]1([H:77])[O:30][C@@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:68]):[N:21]:[C:20]([N:19]([H:82])[H:83]):[C:25]:3:[N:26]:[C:27]:2[H:69])([H:70])[C@:48]([O:49][H:80])([H:81])[C@:46]1([O:47][H:78])[H:79])([H:75])[H:76])(=[O:35])[O:36][H:71])[H:61].[H][O:37][P:38](=[O:39])([O:40][H:72])[O:41][P:42](=[O:43])([O:44][H:73])[O:45][H:74]