Ethanol → p-Toluenesulfonic acid
Reaction equation
[Br:18][c:19]1[cH:20][cH:21][c:22]([CH2:25][CH2:26][C:27](=[O:28])[N:29]2[CH2:30][CH:31]([CH2:39][N:40]([CH3:41])[CH3:42])[CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]32)[cH:23][cH:24]1.[CH2:43]([B:44]([CH2:45][CH3:52])[c:46]1[cH:47][n:48][cH:49][cH:50][cH:51]1)[CH3:53].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:62][CH2:63][OH:64].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:54].[c:7]1([CH3:17])[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[OH:16])[cH:11][cH:12]1.[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[c:19]1(-[c:46]2[cH:47][n:48][cH:49][cH:50][cH:51]2)[cH:20][cH:21][c:22]([CH2:25][CH2:26][C:27](=[O:28])[N:29]2[CH2:30][CH:31]([CH2:39][N:40]([CH3:41])[CH3:42])[CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]32)[cH:23][cH:24]1.[c:7]1([CH3:17])[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[OH:16])[cH:11][cH:12]1Participants
11
Reactant 9
Product 2
Sources & evidence
- ORD record
- ord-87258f4fed0145b3b33d18e5f5df3ed6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…