SMIRKS
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:67])([H:68])[H:69])([H:65])[H:66])([C:4]([H:57])([H:58])[H:59])[H:64])([C:7](=[O:8])[O:9][H:62])[H:63])[H:60].[O:41]=[C:42]([O:43][H:86])[C:44]([C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]1([H:87])[C:52]([H:88])([H:89])[C:53]([H:90])([H:91])[C:54](=[O:55])[C:56]1([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107]>>[C:1]([C:2]([C@:3]([C:4]([H:57])([H:58])[H:59])([C@:5]([N:6]([C:42](=[O:41])[C:44]([C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]1([H:87])[C:52]([H:88])([H:89])[C:53]([H:90])([H:91])[C:54](=[O:55])[C:56]1([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])[H:60])([C:7](=[O:8])[O:9][H:62])[H:63])[H:64])([H:65])[H:66])([H:67])([H:68])[H:69].[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:43][H:86]
Derived Operators
EVODEX.1-F116 - Elemental Balance
| P | 1 |
| O | 6 |
| C | 10 |
| N | 5 |
| H | 12 |
EVODEX.1-M34 - Mass Difference
329.05266
EVODEX.1-E735 - Reaction Operator E
[#7:121](-[#6@@:120])(-[H:267])-[H].[#8:195]=[#6:196](-[#8:197]-[H:374])-[#6:198]>>[#7:121](-[#6@@:120])(-[#6:196](=[#8:195])-[#6:198])-[H:267].[#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])-[#8:197]-[H:374])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C1484 - Reaction Operator C
[H]-[#7:6]-[#6@@:5].[#6:42]-[#8:43]>>[#7:6](-[#6@:5])-[#6:42].[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])-[#8:43]
EVODEX.1-N1901 - Reaction Operator N
[H]-[#7:6](-[#6@@:5](-[#6@:3])(-[#6:7])-[H:63])-[H:60].[#8:41]=[#6:42](-[#8:43]-[H:86])-[#6:44]>>[#7:6](-[#6@@:5](-[#6@:3])(-[#6:7])-[H:63])(-[#6:42](=[#8:41])-[#6:44])-[H:60].[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])-[#8:43]-[H:86]
EVODEX.1-Em41 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:49]-[#6:48]>>[#6:40]-[#6:42](=[#8:43])-[#7:49]-[#6:48].[#8]-[#15](=[#8])(-[#8])-[#8:44]
EVODEX.1-Nm46 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:49]-[#6:48]>>[#6:40]-[#6:42](=[#8:43])-[#7:49]-[#6:48].[#8]-[#15](=[#8])(-[#8])-[#8:44]
Source Full Reactions
EVODEX.1-R7882
[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:67])([H:68])[H:69])([H:65])[H:66])([C:4]([H:57])([H:58])[H:59])[H:64])([C:7](=[O:8])[O:9][H:62])[H:63])[H:60].[N:10]([C:11]1:[N:12]:[C:13]([H:70]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:71]):[N:19]:2[C@:20]1([H:72])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:73])[O:28][P:29](=[O:30])([O:31][H:74])[O:32][P:33](=[O:34])([O:35][H:75])[O:36][H:76])([H:77])[H:78])([H:79])[C@:37]([O:38][H:80])([H:81])[C@:39]1([O:40][H:82])[H:83])([H:84])[H:85].[O:41]=[C:42]([O:43][H:86])[C:44]([C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]1([H:87])[C:52]([H:88])([H:89])[C:53]([H:90])([H:91])[C:54](=[O:55])[C:56]1([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107]>>[C:1]([C:2]([C@:3]([C:4]([H:57])([H:58])[H:59])([C@:5]([N:6]([C:42](=[O:41])[C:44]([C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]1([H:87])[C:52]([H:88])([H:89])[C:53]([H:90])([H:91])[C:54](=[O:55])[C:56]1([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])[H:60])([C:7](=[O:8])[O:9][H:62])[H:63])[H:64])([H:65])[H:66])([H:67])([H:68])[H:69].[N:10]([C:11]1:[N:12]:[C:13]([H:70]):[N:14]:[C:15]2:[C:16]:1:[N:17]:[C:18]([H:71]):[N:19]:2[C@:20]1([H:72])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:73])[O:43][H:86])([H:77])[H:78])([H:79])[C@:37]([O:38][H:80])([H:81])[C@:39]1([O:40][H:82])[H:83])([H:84])[H:85].[H][O:28][P:29](=[O:30])([O:31][H:74])[O:32][P:33](=[O:34])([O:35][H:75])[O:36][H:76]