SMIRKS
[H][O:42][C:43]([C@@:44]1([H:103])[O:45][C@:46]([O:47][C@@:48]2([H:104])[C@@:49]([O:50][H:105])([H:106])[C@:51]([O:52][H:107])([H:108])[C:53]([O:54][H:109])([N:55]([C:56]3:[C:57]([H:110]):[C:58]([H:111]):[C:59]([H:112]):[C:60]([H:113]):[N:61]:3)[H:114])[O:62][C@@:63]2([C:64]([O:65][H:115])([H:116])[H:117])[H:118])([H:119])[C@@:66]([O:67][H:120])([H:121])[C@:68]([O:69][H:122])([H:123])[C@:70]1([O:71][H:124])[H:125])([H:126])[H:127]>>[H]OC(=O)[C@]1([O:42][C:43]([C@@:44]2([H:103])[O:45][C@:46]([O:47][C@@:48]3([H:104])[C@@:49]([O:50][H:105])([H:106])[C@:51]([O:52][H:107])([H:108])[C:53]([O:54][H:109])([N:55]([C:56]4:[C:57]([H:110]):[C:58]([H:111]):[C:59]([H:112]):[C:60]([H:113]):[N:61]:4)[H:114])[O:62][C@@:63]3([C:64]([O:65][H:115])([H:116])[H:117])[H:118])([H:119])[C@@:66]([O:67][H:120])([H:121])[C@:68]([O:69][H:122])([H:123])[C@:70]2([O:71][H:124])[H:125])([H:126])[H:127])O[C@@]([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H]
Derived Operators
EVODEX.1-F412 - Elemental Balance
| C | 11 |
| O | 8 |
| N | 1 |
| H | 17 |
EVODEX.1-M401 - Mass Difference
291.09541
EVODEX.1-E1220 - Reaction Operator E
[#8:10](-[#6@:9])-[H]>>[#8:10](-[#6@:9])-[#6@]1(-[#6](=[#8])-[#8]-[H])-[#8]-[#6@](-[#6@](-[#8]-[H])(-[#6@](-[#8]-[H])(-[#6](-[#8]-[H])(-[H])-[H])-[H])-[H])(-[H])-[#6@@](-[#7](-[#6](-[#6](-[H])(-[H])-[H])=[#8])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6]-1(-[H])-[H]
EVODEX.1-C390 - Reaction Operator C
[H]-[#8:63]>>[H]-[#8]-[#6](=[#8])-[#6@@]1(-[#8:63])-[#8]-[#6@@](-[H])(-[#6@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[H])-[#6@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6]-1(-[H])-[H]
EVODEX.1-N467 - Reaction Operator N
[H]-[#8:63]-[#6@@:62]>>[H]-[#8]-[#6](=[#8])-[#6@@]1(-[#8:63]-[#6@@:62])-[#8]-[#6@@](-[H])(-[#6@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[H])-[#6@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6]-1(-[H])-[H]
Source Full Reactions
EVODEX.1-R3273
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:72])[C@@:6]([C@:7]([O:8][H:73])([C@:9]([O:10][H:74])([C:11]([O:12][H:75])([H:76])[H:77])[H:78])[H:79])([H:80])[O:13][C@:14]([O:15][P:16](=[O:17])([O:18][H:81])[O:19][C:20]([C@@:21]2([H:82])[O:22][C@:23]([N:24]3:[C:25]([H:83]):[C:26]([H:84]):[C:27]([N:28]([H:85])[H:86]):[N:29]:[C:30]:3=[O:31])([H:87])[C@@:32]([O:33][H:88])([H:89])[C@@:34]2([O:35][H:90])[H:91])([H:92])[H:93])([C:36](=[O:37])[O:38][H:94])[C:39]([H:95])([H:96])[C@@:40]1([O:41][H:97])[H:98])[H:99])([H:100])([H:101])[H:102].[H][O:42][C:43]([C@@:44]1([H:103])[O:45][C@:46]([O:47][C@@:48]2([H:104])[C@@:49]([O:50][H:105])([H:106])[C@:51]([O:52][H:107])([H:108])[C:53]([O:54][H:109])([N:55]([C:56]3:[C:57]([H:110]):[C:58]([H:111]):[C:59]([H:112]):[C:60]([H:113]):[N:61]:3)[H:114])[O:62][C@@:63]2([C:64]([O:65][H:115])([H:116])[H:117])[H:118])([H:119])[C@@:66]([O:67][H:120])([H:121])[C@:68]([O:69][H:122])([H:123])[C@:70]1([O:71][H:124])[H:125])([H:126])[H:127]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:72])[C@@:6]([C@:7]([O:8][H:73])([C@:9]([O:10][H:74])([C:11]([O:12][H:75])([H:76])[H:77])[H:78])[H:79])([H:80])[O:13][C@:14]([C:36](=[O:37])[O:38][H:94])([O:42][C:43]([C@@:44]2([H:103])[O:45][C@:46]([O:47][C@@:48]3([H:104])[C@@:49]([O:50][H:105])([H:106])[C@:51]([O:52][H:107])([H:108])[C:53]([O:54][H:109])([N:55]([C:56]4:[C:57]([H:110]):[C:58]([H:111]):[C:59]([H:112]):[C:60]([H:113]):[N:61]:4)[H:114])[O:62][C@@:63]3([C:64]([O:65][H:115])([H:116])[H:117])[H:118])([H:119])[C@@:66]([O:67][H:120])([H:121])[C@:68]([O:69][H:122])([H:123])[C@:70]2([O:71][H:124])[H:125])([H:126])[H:127])[C:39]([H:95])([H:96])[C@@:40]1([O:41][H:97])[H:98])[H:99])([H:100])([H:101])[H:102].[H][O:15][P:16](=[O:17])([O:18][H:81])[O:19][C:20]([C@@:21]1([H:82])[O:22][C@:23]([N:24]2:[C:25]([H:83]):[C:26]([H:84]):[C:27]([N:28]([H:85])[H:86]):[N:29]:[C:30]:2=[O:31])([H:87])[C@@:32]([O:33][H:88])([H:89])[C@@:34]1([O:35][H:90])[H:91])([H:92])[H:93]