1-Pyrrolidinepropanamine → 5-[3-(3-Pyrrolidin-1-yl-propyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic acid amide

HRID 289672

Reaction equation

HRID 289672 reaction equation
[N:31]1([CH2:36][CH2:37][CH2:38][NH2:39])[CH2:32][CH2:33][CH2:34][CH2:35]1.[c:1]1([O:7][C:8](=[O:2])[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)[cH:3][cH:4][cH:5][cH:6][cH:30]1>>[O:7]=[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)[NH:39][CH2:38][CH2:37][CH2:36][N:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1

Participants

3

Reactant 2

HCID 316701-PyrrolidinepropanamineHCID 54053016[4-Carbamoyl-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazol-5-yl]-carbamic acid phenyl ester

Product 1

HCID 100734825-[3-(3-Pyrrolidin-1-yl-propyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic acid amide

Sources & evidence

ORD record
ord-88879477d4164f218ba709bed7eb333a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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