Hydrochloric Acid → methyl 2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chlorobenzoyl]amino]-3-(3-bromo-4-fluorophenyl)propanoate

HRID 157914Notes

Reaction equation

HRID 157914 reaction equation
[CH3:2][O:3][C:4]([CH:5]([NH2:6])[CH2:7][c:8]1[cH:9][c:10]([Br:15])[c:11]([F:14])[cH:12][cH:13]1)=[O:16].[ClH:1].[n:17]1[c:18]2[c:19]([n:20][s:21]1)[c:22]([S:26](=[O:27])(=[O:28])[NH:29][c:30]1[c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36][c:37]([Cl:39])[cH:38]1)[cH:23][cH:24][cH:25]2>>[CH3:2][O:3][C:4]([CH:5]([NH:6][C:32]([c:31]1[c:30]([NH:29][S:26]([c:22]2[c:19]3[c:18]([n:17][s:21][n:20]3)[cH:25][cH:24][cH:23]2)(=[O:27])=[O:28])[cH:38][c:37]([Cl:39])[cH:36][cH:35]1)=[O:33])[CH2:7][c:8]1[cH:9][c:10]([Br:15])[c:11]([F:14])[cH:12][cH:13]1)=[O:16]

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 160906632-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-chlorobenzoic acidHCID 64146805Methyl 2-amino-3-(3-bromo-4-fluorophenyl)propanoate

Product 1

HCID 178499894methyl 2-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chlorobenzoyl]amino]-3-(3-bromo-4-fluorophenyl)propanoate

Sources & evidence

ORD record
ord-b1069abef1dd4198a7e37c8d5972db5e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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