Acetic Acid → HCID 178441957, compound

HRID 2139076Notes

Reaction equation

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

Participants

Reactant 2

HCID 176Acetic Acid

HCID 199393645-n-Butyl-2,4-dihydro-2-(phenylthiomethyl)-4-[[2'-(N-trityltetrazol-5-yl)biphenyl-4-yl]methyl]-3H-1,2,4-triazol-3-one

Product 1

HCID 178441957HCID 178441957, compound

Sources & evidence

ORD record: ord-7f988e3990f74a8a8ea1b03431e1396a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…