Tetrahydrofuran → 3-(2,6-Difluoro-4-methyl-benzyloxy)-5-{3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}isothiazole-4-carboxylic acid amide

HRID 1142176Notes

Reaction equation

HRID 1142176 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[NH2:30][CH2:31][CH2:32][CH2:33][N:34]1[CH2:35][CH2:36][N:37]([CH3:40])[CH2:38][CH2:39]1.[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][CH2:33][N:34]1[CH2:35][CH2:36][N:37]([CH3:40])[CH2:38][CH2:39]1

Participants

4

Reactant 3

HCID 8028TetrahydrofuranHCID 783281-(3-Aminopropyl)-4-methylpiperazineHCID 11384589(4-Carbamoyl-3-(2,6-difluoro-4-methyl-benzyloxy)-isothiazol-5-yl]-carbamic acid phenyl ester

Product 1

HCID 98914163-(2,6-Difluoro-4-methyl-benzyloxy)-5-{3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}isothiazole-4-carboxylic acid amide

Sources & evidence

ORD record
ord-2530de766b274c678556df4d14d1db7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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