(4-Carbamoyl-3-(2,6-difluoro-4-methyl-benzyloxy)-isothiazol-5-yl]-carbamic acid phenyl ester → 3-(2,6-Difluoro-4-methyl-benzyloxy)-5-[3-(3-hydroxy-5-pyrrolidin-1-yl-pentyl)-ureido]-isothiazole-4-carboxylic Acid Amide

HRID 1227399

Reaction equation

HRID 1227399 reaction equation
[NH2:30][CH2:31][CH2:32][CH:33]([CH2:34][CH2:35][N:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1)[OH:41].[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])[cH:21][c:22]3[F:23])[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])[cH:21][c:22]2[F:23])[n:13][s:14]1)(=[O:29])[NH:30][CH2:31][CH2:32][CH:33]([CH2:34][CH2:35][N:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1)[OH:41]

Participants

3

Reactant 2

HCID 11384589(4-Carbamoyl-3-(2,6-difluoro-4-methyl-benzyloxy)-isothiazol-5-yl]-carbamic acid phenyl esterHCID 185503221-Amino-5-(pyrrolidin-1-yl)pentan-3-ol

Product 1

HCID 102553123-(2,6-Difluoro-4-methyl-benzyloxy)-5-[3-(3-hydroxy-5-pyrrolidin-1-yl-pentyl)-ureido]-isothiazole-4-carboxylic Acid Amide

Sources & evidence

ORD record
ord-69702a9c198f43f3ac1f98622c88a8a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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