Acetic Acid → HCID 178441904, compound

HRID 2125244Notes

Reaction equation

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

Participants

Reactant 2

HCID 176Acetic Acid

HCID 199393732-[4-(Benzyloxy)phenyl]-5-n-butyl-2,4-dihydro-4-[[2'-(N-trityltetrazol-5-yl)biphenyl-4-yl]-methyl]-3H-1,2,4-triazol-3-one

Product 1

HCID 178441904HCID 178441904, compound

Sources & evidence

ORD record: ord-f69c36edac5e4e658b6fe048a827c19f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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