Acetic Acid → 1-Tosyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one

HRID 1220150Notes

Reaction equation

HRID 1220150 reaction equation
[CH2:27]([O:28][C:29]([C:30]1=[C:50]([OH:51])[c:49]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[N:33]([S:34]([c:35]2[cH:36][cH:37][c:38]([CH3:39])[cH:40][cH:41]2)(=[O:42])=[O:43])[CH2:32][CH2:31]1)=[O:52])[CH3:53].[CH3:1][O:2][C:3](=[O:4])[C:5]1=[C:6]([OH:26])[c:7]2[c:8]([cH:22][cH:23][cH:24][cH:25]2)[N:9]([S:12](=[O:13])(=[O:14])[c:15]2[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[CH2:10][CH2:11]1.[CH3:54][C:55](=[O:56])[OH:57].[CH3:59][CH2:60][OH:61].[ClH:58].[OH2:62]>>[CH2:5]1[C:6](=[O:26])[c:7]2[c:8]([cH:22][cH:23][cH:24][cH:25]2)[N:9]([S:12](=[O:13])(=[O:14])[c:15]2[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[CH2:10][CH2:11]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 702EthanolHCID 962WaterHCID 54718720ethyl 5-hydroxy-1-tosyl-2,3-dihydro-1H-benzo[b]azepine-4-carboxylateHCID 575553885-hydroxy-1-(toluene-4-sulfonyl)-2,3-dihydro-1H-benzo[b]azepine-4-carboxylic acid methyl ester

Product 1

HCID 2668521-Tosyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one

Sources & evidence

ORD record
ord-b542a61e8e174bae9d26e274727fa0ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…