Ethanol → 5-Cyano-7-(4-hydroxymethylphenyl)-1-phenylbenzimidazole
Reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:6]([n:7](-[c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[cH:8][n:9]2)[c:16]([I:18])[cH:17]1.[C:30](=[O:31])([O-:32])[O-:33].[C:36]([c:37]1[cH:38][c:39](-[c:40]2[cH:41][cH:42][cH:43][c:44]([CH2:45][OH:46])[cH:47]2)[c:48]2[n:49](-[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[cH:56][n:57][c:58]2[cH:59]1)#[N:60].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH3:68][CH2:69][OH:70].[K+:34].[K+:35].[OH:19][CH2:20][c:21]1[cH:22][cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1.[cH:71]1[cH:72][cH:73][c:74]([P:75]([Pd:76]([P:77]([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)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([P:96]([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)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[P:115]([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)[c:140]2[cH:141][cH:142][cH:143][cH:144][cH:145]2)[cH:146][cH:147]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:6]([n:7](-[c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[cH:8][n:9]2)[c:16](-[c:24]2[cH:23][cH:22][c:21]([CH2:20][OH:19])[cH:26][cH:25]2)[cH:17]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-828761d16189438cade2c4a00f8cf98a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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