SMIRKS
[H][O:20][P:18]([O:17][P:14]([O:13][C:12]([C@@:11]1([H:61])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:67])[H:68]):[N:28]([H:66]):[C:26](=[O:27]):[C:5]:3:[N:6]:[C:7]:2[H:54])([H:55])[C@@:24]([O:25][H:64])([H:65])[C@@:22]1([O:23][H:62])[H:63])([H:59])[H:60])(=[O:15])[O:16][H:56])(=[O:19])[O:21][H:58].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])O[P:43](=[O:44])([O:45][H:73])[O:46][H:74]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:54]):[N:8]:2[C@:9]2([H:55])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:56])[O:17][P:18](=[O:19])([O:20][P:43](=[O:44])([O:45][H:73])[O:46][H:74])[O:21][H:58])([H:59])[H:60])([H:61])[C@:22]([O:23][H:62])([H:63])[C@:24]2([O:25][H:64])[H:65]):[C:26](=[O:27]):[N:28]:1[H:66])([H:67])[H:68]
Derived Operators
EVODEX.1-F293 - Elemental Balance
| P | -1 |
| O | -9 |
| C | -9 |
| N | -2 |
| H | -13 |
EVODEX.1-M144 - Mass Difference
-324.03589
EVODEX.1-E1058 - Reaction Operator E
[#15:17]-[#8:19]-[H].[#8]=[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:35](=[#8:36])(-[#8:37])-[#8:38])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H]>>[#15:17]-[#8:19]-[#15:35](=[#8:36])(-[#8:37])-[#8:38]
EVODEX.1-C983 - Reaction Operator C
([H]-[#8:20].[#6@@:24]-[#6@@:22]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:43]>>([#8:20]-[#15:43].[#6@:22]-[#6@:24])
EVODEX.1-N1683 - Reaction Operator N
([H]-[#8:20]-[#15:18].[#8:25]-[#6@:24](-[#6@:9])(-[H:65])-[#6@@:22](-[#6@@:11])(-[#8:23])-[H:63]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:43](=[#8:44])(-[#8:45])-[#8:46]>>([#15:18]-[#8:20]-[#15:43](=[#8:44])(-[#8:45])-[#8:46].[#8:23]-[#6@@:22](-[#6@@:11])(-[H:63])-[#6@:24](-[#6@:9])(-[#8:25])-[H:65])
EVODEX.1-Em31 - Reaction Operator Em
[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]
EVODEX.1-Nm32 - Reaction Operator Nm
[H]-[#8:27]-[#15:25].[#15]-[#8]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]>>[#15:25]-[#8:27]-[#15:44](-[#8:43])(=[#8:45])-[#8:46]
Source Full Reactions
EVODEX.1-R4267
[H][O:20][P:18]([O:17][P:14]([O:13][C:12]([C@@:11]1([H:61])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:67])[H:68]):[N:28]([H:66]):[C:26](=[O:27]):[C:5]:3:[N:6]:[C:7]:2[H:54])([H:55])[C@@:24]([O:25][H:64])([H:65])[C@@:22]1([O:23][H:62])[H:63])([H:59])[H:60])(=[O:15])[O:16][H:56])(=[O:19])[O:21][H:58].[O:29]=[C:30]1:[C:31]([H:69]):[C:32]([H:70]):[N:33]([C@:34]2([H:71])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:72])[O:42][P:43](=[O:44])([O:45][H:73])[O:46][H:74])([H:75])[H:76])([H:77])[C@:47]([O:48][H:78])([H:79])[C@:49]2([O:50][H:80])[H:81]):[C:51](=[O:52]):[N:53]:1[H:82]>>[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:54]):[N:8]:2[C@:9]2([H:55])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:56])[O:17][P:18](=[O:19])([O:20][P:43](=[O:44])([O:45][H:73])[O:46][H:74])[O:21][H:58])([H:59])[H:60])([H:61])[C@:22]([O:23][H:62])([H:63])[C@:24]2([O:25][H:64])[H:65]):[C:26](=[O:27]):[N:28]:1[H:66])([H:67])[H:68].[H][O:42][P:39]([O:38][C:37]([C@@:36]1([H:77])[O:35][C@:34]([N:33]2:[C:32]([H:70]):[C:31]([H:69]):[C:30](=[O:29]):[N:53]([H:82]):[C:51]:2=[O:52])([H:71])[C@@:49]([O:50][H:80])([H:81])[C@@:47]1([O:48][H:78])[H:79])([H:75])[H:76])(=[O:40])[O:41][H:72]