SMIRKS
[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])OP(=O)(O[H])O[C@@:19]1([H:74])[O:20][C:21]([H:75])([H:76])[C@:22]([O:23][H:77])([H:78])[C@@:24]([O:25][H:79])([H:80])[C@:26]1([O:27][H:81])[H:82].[H][O:68][C@@:67]1([H:119])[C@@:36]([O:35][H:120])([H:91])[C@:37]([O:38][H:92])([H:93])[C@@:39]([O:40][C@:41]2([H:94])[C:42]([H:95])([H:96])[O:43][C@:44]([O:45][C@:46]3([H:97])[C:47]([H:98])([H:99])[O:48][C@:49]([N:50]([C:51]4:[C:52]([H:100]):[C:53]([H:101]):[C:54]([H:102]):[C:55]([H:103]):[N:56]:4)[H:104])([H:105])[C@@:57]([O:58][H:106])([H:107])[C@:59]3([O:60][H:108])[H:109])([H:110])[C@@:61]([O:62][H:111])([H:112])[C@:63]2([O:64][H:113])[H:114])([H:115])[O:65][C:66]1([H:116])[H:117]>>[C@@:19]1([O:68][C@@:67]2([H:119])[C@@:36]([O:35][H:120])([H:91])[C@:37]([O:38][H:92])([H:93])[C@@:39]([O:40][C@:41]3([H:94])[C:42]([H:95])([H:96])[O:43][C@:44]([O:45][C@:46]4([H:97])[C:47]([H:98])([H:99])[O:48][C@:49]([N:50]([C:51]5:[C:52]([H:100]):[C:53]([H:101]):[C:54]([H:102]):[C:55]([H:103]):[N:56]:5)[H:104])([H:105])[C@@:57]([O:58][H:106])([H:107])[C@:59]4([O:60][H:108])[H:109])([H:110])[C@@:61]([O:62][H:111])([H:112])[C@:63]3([O:64][H:113])[H:114])([H:115])[O:65][C:66]2([H:116])[H:117])([H:74])[O:20][C:21]([H:75])([H:76])[C@:22]([O:23][H:77])([H:78])[C@@:24]([O:25][H:79])([H:80])[C@:26]1([O:27][H:81])[H:82]
Derived Operators
EVODEX.1-F328 - Elemental Balance
| P | -2 |
| O | -12 |
| C | -9 |
| N | -2 |
| H | -14 |
EVODEX.1-M18 - Mass Difference
-404.00222
EVODEX.1-E1115 - Reaction Operator E
[#8]=[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:19](-[H:72])(-[#8:20])-[#6@:26])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H].[#6:36]-[#6@@:37](-[H:89])(-[#8:38])-[#6@:65](-[#6@:63])(-[#8:66]-[H])-[H:106]>>[#8:66](-[#6@@:19](-[H:72])(-[#8:20])-[#6@:26])-[#6@:65](-[H:106])(-[#6@:37](-[#6:36])(-[H:89])-[#8:38])-[#6@:63]
EVODEX.1-C64 - Reaction Operator C
[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](=[#8])(-[#8]-[H])-[#8]-[#6@@:19].[H]-[#8:53]>>[#8:53]-[#6@@:19]
EVODEX.1-N23 - Reaction Operator N
[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](=[#8])(-[#8]-[H])-[#8]-[#6@@:19](-[H:61])(-[#8:20])-[#6@:26].[H]-[#8:53]-[#6@:52]>>[#8:53](-[#6@@:19](-[H:61])(-[#8:20])-[#6@:26])-[#6@:52]
EVODEX.1-Em13 - Reaction Operator Em
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
EVODEX.1-Nm17 - Reaction Operator Nm
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
Source Full Reactions
EVODEX.1-R3253
[O:1]=[C:2]1:[C:3]([H:69]):[C:4]([H:70]):[N:5]([C@:6]2([H:71])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:72])[O:14][P:15](=[O:16])([O:17][H:73])[O:18][C@@:19]3([H:74])[O:20][C:21]([H:75])([H:76])[C@:22]([O:23][H:77])([H:78])[C@@:24]([O:25][H:79])([H:80])[C@:26]3([O:27][H:81])[H:82])([H:83])[H:84])([H:85])[C@:28]([O:29][H:86])([H:87])[C@:30]2([O:31][H:88])[H:89]):[C:32](=[O:33]):[N:34]:1[H:90].[H][O:68][C@@:67]1([H:119])[C@@:36]([O:35][H:120])([H:91])[C@:37]([O:38][H:92])([H:93])[C@@:39]([O:40][C@:41]2([H:94])[C:42]([H:95])([H:96])[O:43][C@:44]([O:45][C@:46]3([H:97])[C:47]([H:98])([H:99])[O:48][C@:49]([N:50]([C:51]4:[C:52]([H:100]):[C:53]([H:101]):[C:54]([H:102]):[C:55]([H:103]):[N:56]:4)[H:104])([H:105])[C@@:57]([O:58][H:106])([H:107])[C@:59]3([O:60][H:108])[H:109])([H:110])[C@@:61]([O:62][H:111])([H:112])[C@:63]2([O:64][H:113])[H:114])([H:115])[O:65][C:66]1([H:116])[H:117]>>[C@@:19]1([O:68][C@@:67]2([H:119])[C@@:36]([O:35][H:120])([H:91])[C@:37]([O:38][H:92])([H:93])[C@@:39]([O:40][C@:41]3([H:94])[C:42]([H:95])([H:96])[O:43][C@:44]([O:45][C@:46]4([H:97])[C:47]([H:98])([H:99])[O:48][C@:49]([N:50]([C:51]5:[C:52]([H:100]):[C:53]([H:101]):[C:54]([H:102]):[C:55]([H:103]):[N:56]:5)[H:104])([H:105])[C@@:57]([O:58][H:106])([H:107])[C@:59]4([O:60][H:108])[H:109])([H:110])[C@@:61]([O:62][H:111])([H:112])[C@:63]3([O:64][H:113])[H:114])([H:115])[O:65][C:66]2([H:116])[H:117])([H:74])[O:20][C:21]([H:75])([H:76])[C@:22]([O:23][H:77])([H:78])[C@@:24]([O:25][H:79])([H:80])[C@:26]1([O:27][H:81])[H:82].[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:85])[O:7][C@:6]([N:5]2:[C:4]([H:70]):[C:3]([H:69]):[C:2](=[O:1]):[N:34]([H:90]):[C:32]:2=[O:33])([H:71])[C@@:30]([O:31][H:88])([H:89])[C@@:28]1([O:29][H:86])[H:87])([H:83])[H:84])(=[O:12])[O:13][H:72])(=[O:16])[O:17][H:73]