Dimethylformamide → 6-Methoxy-benzo[d]isothiazole-3-carboxylic acid [4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-amide

HRID 2129836Notes

Reaction equation

HRID 2129836 reaction equation
[CH2:41]([P:42]([OH:43])([OH:44])=[O:45])[CH2:46][CH3:47].[CH3:15][N:16]1[CH2:17][CH2:18][N:19]([CH2:22][c:23]2[c:24]([C:30]([F:31])([F:32])[F:33])[cH:25][c:26]([NH2:27])[cH:28][cH:29]2)[CH2:20][CH2:21]1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([c:7]([C:10](=[O:11])[OH:12])[n:8][s:9]2)[cH:13][cH:14]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([c:7]([C:10](=[O:12])[NH:27][c:26]3[cH:25][c:24]([C:30]([F:31])([F:32])[F:33])[c:23]([CH2:22][N:19]4[CH2:18][CH2:17][N:16]([CH3:15])[CH2:21][CH2:20]4)[cH:29][cH:28]3)[n:8][s:9]2)[cH:13][cH:14]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 204484Propylphosphonic acidHCID 46838908AP-24592HCID 666368056-Methoxybenzo[d]isothiazole-3-carboxylic acid

Product 1

HCID 669928876-Methoxy-benzo[d]isothiazole-3-carboxylic acid [4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-amide

Sources & evidence

ORD record
ord-537aa529305b4e63b2a0e3569472d4d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…