Chloride → 2-Ethyl-3-(4-chloro-3-sulfamoylbenzoyl)-benzo[b]furan

HRID 1114804Notes

Reaction equation

HRID 1114804 reaction equation
[Al+3:45].[CH2:33]([CH3:34])[c:35]1[cH:36][c:37]2[c:38]([o:39]1)[cH:40][cH:41][cH:42][cH:43]2.[CH3:49][OH:50].[Cl-:44].[Cl-:46].[Cl-:47].[Cl:15][c:16]1[cH:17][cH:18][c:19]([C:20]([OH:21])=[O:22])[cH:23][c:24]1[S:25](=[O:26])(=[O:27])[NH2:28].[Cl:1][c:2]1[c:3]([S:11]([NH2:12])(=[O:13])=[O:14])[cH:4][c:5]([C:6](=[O:7])[Cl:8])[cH:9][cH:10]1.[Cl:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[ClH:48].[S:29]([Cl:30])([Cl:31])=[O:32]>>[Cl:1][c:2]1[c:3]([S:11]([NH2:12])(=[O:13])=[O:14])[cH:4][c:5]([C:6](=[O:7])[c:36]2[c:35]([CH2:33][CH3:34])[o:39][c:38]3[c:37]2[cH:43][cH:42][cH:41][cH:40]3)[cH:9][cH:10]1

Participants

10

Reactant 9

HCID 312Chloride3×HCID 313Hydrochloric AcidHCID 887MethanolHCID 7964ChlorobenzeneHCID 145684-Chloro-3-sulfamoylbenzoic acidHCID 24386Thionyl ChlorideHCID 765822-EthylbenzofuranHCID 104727Aluminum CationHCID 30179793-(Aminosulfonyl)-4-chlorobenzoyl chloride

Product 1

HCID 213165862-Ethyl-3-(4-chloro-3-sulfamoylbenzoyl)-benzo[b]furan

Sources & evidence

ORD record
ord-780521d1c91a46488775b9ffd8ac75e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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