N-methyl-2-pyrrolidone → N-[3-(2-ethoxyethenyl)-4-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide

HRID 685348Notes

Reaction equation

HRID 685348 reaction equation
[Br:1][c:2]1[cH:3][c:4]([NH:22][C:23]([C:24]([F:25])([F:26])[F:27])=[O:28])[cH:5][cH:6][c:7]1[S:8]([NH:9][c:10]1[cH:11][cH:12][c:13]2[c:14]([cH:19]1)[B:15]([OH:18])[O:16][CH2:17]2)(=[O:20])=[O:21].[CH2:29]([Sn:30]([CH2:31][CH2:32][CH2:33][CH3:39])([CH:34]=[CH:35][O:36][CH2:37][CH3:38])[CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH3:46].[CH3:47][N:48]([CH:49]([OH:50])[CH3:51])[CH3:52].[CH3:53][N:54]1[CH2:55][CH2:56][CH2:57][C:58]1=[O:59]>>[c:2]1([CH:34]=[CH:35][O:36][CH2:37][CH3:38])[cH:3][c:4]([NH:22][C:23]([C:24]([F:25])([F:26])[F:27])=[O:28])[cH:5][cH:6][c:7]1[S:8]([NH:9][c:10]1[cH:11][cH:12][c:13]2[c:14]([cH:19]1)[B:15]([OH:18])[O:16][CH2:17]2)(=[O:20])=[O:21]

Participants

5

Reactant 4

HCID 13387N-methyl-2-pyrrolidoneHCID 2763294(Z)-1-Ethoxy-2-(tributylstannyl)etheneHCID 10313070HCID 10313070, compoundHCID 86655204N-(3-bromo-4-(N-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)sulfamoyl)phenyl)-2,2,2-trifluoroacetamide

Product 1

HCID 123865055N-[3-(2-ethoxyethenyl)-4-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide

Sources & evidence

ORD record
ord-12522e675604464eadab344df4a3e216
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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