Ethanol → HCID 22648055, compound
Reaction equation
[Br:1][c:2]1[c:3]2[c:8]([cH:9][c:10]([N+:12](=[O:13])[O-:14])[cH:11]1)[N:7]([c:15]1[c:16]([Cl:22])[cH:17][cH:18][cH:19][c:20]1[Cl:21])[C:6](=[O:23])[N:5]([CH2:24][c:25]1[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]1)[CH2:4]2.[C:33](=[O:34])([O-:35])[O-:36].[CH2:50]([OH:51])[CH3:52].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[Cl:39][c:40]1[c:41]([B:46]([OH:47])[OH:48])[cH:42][cH:43][cH:44][cH:45]1.[Na+:37].[Na+:38].[OH2:49].[cH:66]1[cH:67][cH:68][c:69]([P:70]([Pd:71]([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)([c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[cH:141][cH:142]1>>[c:2]1(-[c:41]2[c:40]([Cl:39])[cH:45][cH:44][cH:43][cH:42]2)[c:3]2[c:8]([cH:9][c:10]([N+:12](=[O:13])[O-:14])[cH:11]1)[N:7]([c:15]1[c:16]([Cl:22])[cH:17][cH:18][cH:19][c:20]1[Cl:21])[C:6](=[O:23])[N:5]([CH2:24][c:25]1[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]1)[CH2:4]2Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-b98801f4155f4b3ebdb0c2d6ab6f4879
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…