Benzene → Sas 1310

HRID 1205739Notes

Reaction equation

HRID 1205739 reaction equation
[C:34]([c:35]1[cH:36][n:37][cH:38][cH:39][cH:40]1)(=[O:41])[Cl:42].[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[C:6](=[O:25])[CH:7]([OH:24])[CH:8]([c:16]2[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]2)[S:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2)[CH3:26].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[cH:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[C:6](=[O:25])[CH:7]([O:24][C:34]([c:35]2[cH:36][n:37][cH:38][cH:39][cH:40]2)=[O:41])[CH:8]([c:16]2[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]2)[S:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2)[CH3:26]

Participants

5

Reactant 4

HCID 241BenzeneHCID 8471TriethylamineHCID 82604Nicotinoyl chlorideHCID 11068728Desacetyl Diltiazem

Product 1

HCID 176128Sas 1310

Sources & evidence

ORD record
ord-2f08cba36ac64b35b463fee25919be1f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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