N-Methyl-1,3-propanediamine → 5-[3-(3-Methylamino-propyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic acid amide

HRID 1217689Notes

Reaction equation

HRID 1217689 reaction equation
[CH3:31][NH:32][CH2:33][CH2:34][CH2:35][NH2:36].[c:1]1([O:2][C:8]([NH:9][c:10]2[c:11]([C:27]([NH2:28])=[O:29])[c:12]([O:15][CH2:16][c:17]3[c:18]([F:26])[c:19]([F:25])[c:20]([CH3:24])[cH:21][c:22]3[F:23])[n:13][s:14]2)=[O:30])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]([NH:9][c:10]1[c:11]([C:27]([NH2:28])=[O:29])[c:12]([O:15][CH2:16][c:17]2[c:18]([F:26])[c:19]([F:25])[c:20]([CH3:24])[cH:21][c:22]2[F:23])[n:13][s:14]1)(=[O:30])[NH:36][CH2:35][CH2:34][CH2:33][NH:32][CH3:31]

Participants

3

Reactant 2

HCID 80511N-Methyl-1,3-propanediamineHCID 54053016[4-Carbamoyl-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazol-5-yl]-carbamic acid phenyl ester

Product 1

HCID 103427045-[3-(3-Methylamino-propyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic acid amide

Sources & evidence

ORD record
ord-53da0fe381f94227b98b78750998ea29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…