Acetic Acid → 3-Amino-5-(hydroxymethyl)-2-phenoxybenzene-1-sulfonamide

HRID 675236Notes

Reaction equation

HRID 675236 reaction equation
[Al+3:2].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[CH3:43][C:44](=[O:45])[OH:46].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[NH2:7][c:8]1[cH:9][c:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:16][c:17]([S:26]([NH2:27])(=[O:28])=[O:29])[c:18]1[O:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[OH2:36]>>[NH2:7][c:8]1[cH:9][c:10]([CH2:11][OH:12])[cH:16][c:17]([S:26]([NH2:27])(=[O:28])=[O:29])[c:18]1[O:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 962WaterHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 104727Aluminum CationHCID 166653Hydride4×HCID 20294607Ethyl 3-amino-4-phenoxy-5-sulfamoylbenzoate

Product 1

HCID 540361913-Amino-5-(hydroxymethyl)-2-phenoxybenzene-1-sulfonamide

Sources & evidence

ORD record
ord-93c70128c525465cb1732020b0888261
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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