Acetic Acid → HCID 178468944, compound

HRID 95124Notes

Reaction equation

[CH2:1]([CH3:2])[c:3]1[n:4]([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:5]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[c:6]([C:8]([CH3:9])([CH3:10])[OH:11])[n:7]1.[CH3:54][C:55](=[O:56])[OH:57].[OH2:58]>>[CH2:1]([CH3:2])[c:3]1[n:4]([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:5]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[c:6]([C:8]([CH3:9])([CH3:10])[OH:11])[n:7]1

Participants

Reactant 3

HCID 176Acetic Acid

HCID 962Water

HCID 19036058Ethyl 2-ethyl-4-(1-hydroxy-1-methylethyl)-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate

Product 1

HCID 178468944HCID 178468944, compound

Sources & evidence

ORD record: ord-de590f2bc2fb4567bfdea56d062ab2a8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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