Benzene → HCID 67934946, compound

HRID 1543246Notes

Reaction equation

HRID 1543246 reaction equation
[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH:28]([CH3:29])([CH3:30])[SH:31].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][n:9]2[n:10][cH:11][n:12][cH:13]2)[cH:14][cH:15]1.[P:16]([Cl:17])([Cl:18])([Cl:19])=[O:20].[cH:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[N:8][n:9]2[n:10][cH:11][n:12][cH:13]2)[S:31][CH:28]([CH3:29])[CH3:30])[cH:14][cH:15]1

Participants

7

Reactant 6

HCID 241BenzeneHCID 63642-PropanethiolHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 24813Phosphorus oxychlorideHCID 19994966HCID 19994966, compound

Product 1

HCID 67934946HCID 67934946, compound

Sources & evidence

ORD record
ord-b68fcb5903b5428383ec74dcefc67019
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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