Acetic Acid → HCID 178494671, compound

HRID 2148802Notes

Reaction equation

[C:55]([OH:56])([c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)([c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH3:75][C:76](=[O:77])[OH:78].[OH2:54].[OH:1][C:2]([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([CH2:51][O:52][CH3:53])[n:8]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22](-[c:27]4[n:28][n:29][n:30][n:31]4[C:32]([c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)([c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[c:9]1[C:10](=[O:11])[O:12][CH3:13]>>[OH:1][C:2]([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([CH2:51][O:52][CH3:53])[n:8]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22](-[c:27]4[n:28][n:29][n:30][nH:31]4)[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[c:9]1[C:10](=[O:11])[O:12][CH3:13]

Participants

Reactant 4

HCID 176Acetic Acid

HCID 962Water

HCID 6457Triphenylcarbinol

HCID 19036245Methyl 4-(1-hydroxy-1-methylethyl)-2-methoxymethyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate

Product 1

HCID 178494671HCID 178494671, compound

Sources & evidence

ORD record: ord-891aab0a06e349e99e7c8f9abb6f514e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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