5-Isopropylaminoamylamine → 3-(2,5-Difluoro-4-methyl-benzyloxy)-5-[3-(5-isopropylamino-pentyl)-ureido]-isothiazole-4-carboxylic Acid Amide

HRID 696669

Reaction equation

HRID 696669 reaction equation
[CH:30]([CH3:31])([CH3:32])[NH:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][NH2:39].[c:1]1([O:2][C:8]([NH:9][c:10]2[c:11]([C:26]([NH2:27])=[O:28])[c:12]([O:15][CH2:16][c:17]3[c:18]([F:25])[cH:19][c:20]([CH3:24])[c:21]([F:23])[cH:22]3)[n:13][s:14]2)=[O:29])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]([NH:9][c:10]1[c:11]([C:26]([NH2:27])=[O:28])[c:12]([O:15][CH2:16][c:17]2[c:18]([F:25])[cH:19][c:20]([CH3:24])[c:21]([F:23])[cH:22]2)[n:13][s:14]1)(=[O:29])[NH:39][CH2:38][CH2:37][CH2:36][CH2:35][CH2:34][NH:33][CH:30]([CH3:31])[CH3:32]

Participants

3

Reactant 2

HCID 33037805-IsopropylaminoamylamineHCID 54330906[4-Carbamoyl-3-(2,5-difluoro-4-methyl-benzyloxy)-isothiazol-5-yl]carbamic acid phenyl ester

Product 1

HCID 542235683-(2,5-Difluoro-4-methyl-benzyloxy)-5-[3-(5-isopropylamino-pentyl)-ureido]-isothiazole-4-carboxylic Acid Amide

Sources & evidence

ORD record
ord-d3d9135f6b434544a8f0175e21a7d744
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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