Acetic Acid → HCID 178441916, compound

HRID 2336070Notes

Reaction equation

[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:20][c:21]2[cH:22][cH:23][c:24](-[c:27]3[c:28](-[c:33]4[n:34][n:35][n:36][n:37]4[C:38]([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)[c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]2)[c:7](=[O:19])[n:8]([CH:10]([CH2:11][CH3:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:9]1.[CH3:57][C:58](=[O:59])[OH:60]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:20][c:21]2[cH:22][cH:23][c:24](-[c:27]3[c:28](-[c:33]4[n:34][n:35][n:36][nH:37]4)[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]2)[c:7](=[O:19])[n:8]([CH:10]([CH2:11][CH3:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:9]1

Participants

Reactant 2

HCID 176Acetic Acid

HCID 199394995-n-Butyl-2,4-dihydro-2-(1-phenylpropyl)-4-[[2'-(N-trityltetrazol-5-yl)biphenyl-4-yl]methyl]-3H-1,2,4-triazol-3-one

Product 1

HCID 178441916HCID 178441916, compound

Sources & evidence

ORD record: ord-9f318769ff154c0eb60d6dc24bfdec96
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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