Ethanol → HCID 178467354, compound

HRID 167945Notes

Reaction equation

[CH2:1]([CH3:2])[O:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17](-[c:22]4[n:23][n:24][n:25]([C:27]([c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)([c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[c:40]5[cH:41][cH:42][cH:43][cH:44][cH:45]5)[n:26]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[cH:46][c:47](-[c:51]1[n:52][c:53]3[c:54]([n:55]1[CH3:56])[cH:57][cH:58][cH:59][cH:60]3)[cH:48][c:49]2[CH3:50].[CH3:63][CH2:64][OH:65].[Na+:62].[OH-:61]>>[CH2:1]([CH3:2])[O:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17](-[c:22]4[nH:23][n:24][n:25][n:26]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[cH:46][c:47](-[c:51]1[n:52][c:53]3[c:54]([n:55]1[CH3:56])[cH:57][cH:58][cH:59][cH:60]3)[cH:48][c:49]2[CH3:50]

Participants

Reactant 4

HCID 702Ethanol

HCID 923Sodium ion

HCID 961Hydroxide

HCID 199646024'-[(2-Ethoxy-4-methyl-6-(1-methyl-benzimidazol-2-yl)-benzimidazol-1-yl)-methyl]-2-(2-triphenylmethyl-tetrazol-5-yl)-biphenyl

Product 1

HCID 178467354HCID 178467354, compound

Sources & evidence

ORD record: ord-9d5e1a024b23428b8ed37460a09eff35
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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