Water → 4-{[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-amino}-3-nitro-benzoic acid methyl ester

HRID 948352

Reaction equation

HRID 948352 reaction equation
[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([N+:11](=[O:12])[O-:13])[c:7]([F:10])[cH:8][cH:9]1)=[O:14].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[Cl:15][c:16]1[cH:17][cH:18][c:19](-[c:21]2[cH:22][c:23]([CH2:26][NH2:27])[n:24][o:25]2)[s:20]1.[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[OH2:35]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([N+:11](=[O:12])[O-:13])[c:7]([NH:27][CH2:26][c:23]2[cH:22][c:21](-[c:19]3[cH:18][cH:17][c:16]([Cl:15])[s:20]3)[o:25][n:24]2)[cH:8][cH:9]1)=[O:14]

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 5219721Methyl 4-fluoro-3-nitrobenzoateHCID 68616593(5-(5-Chlorothiophen-2-yl)isoxazol-3-yl)methanamine

Product 1

HCID 686158574-{[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-amino}-3-nitro-benzoic acid methyl ester

Sources & evidence

ORD record
ord-42864c0f91994716b0b0fdc3400a4f29
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Linked notes

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