Acetic Acid → HCID 178441747, compound

Reaction equation

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

Participants

Reactant 2

HCID 176Acetic Acid

HCID 190361492-Butyl-4-(1-hydroxy-2-methylpropyl)-1-{4-[2-(trityltetrazol-5-yl)phenyl]-phenyl}methylimidazole-5-carbonitrile

Product 1

HCID 178441747HCID 178441747, compound

Sources & evidence

ORD record: ord-bcf8e883e591429d8a08e7447eacf523
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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