1-(3-Aminopropyl)-4-methylpiperazine → 3-(4-Bromo-2,3,6-trifluoro-benzyloxy)-5-{3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}-isothiazole-4-carboxylic Acid Amide

HRID 2153827Notes

Reaction equation

HRID 2153827 reaction equation
[CH3:31][N:32]1[CH2:33][CH2:34][N:35]([CH2:38][CH2:39][CH2:40][NH2:41])[CH2:36][CH2:37]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]([Br: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]([Br:24])[cH:21][c:22]2[F:23])[n:13][s:14]1)[NH:41][CH2:40][CH2:39][CH2:38][N:35]1[CH2:34][CH2:33][N:32]([CH3:31])[CH2:37][CH2:36]1

Participants

3

Reactant 2

HCID 783281-(3-Aminopropyl)-4-methylpiperazineHCID 86588929[3-(4-Bromo-2,3,6-trifluoro-benzyloxy)4-carbamoyl-isothiazol-5-yl]-carbamic acid phenyl ester

Product 1

HCID 100766193-(4-Bromo-2,3,6-trifluoro-benzyloxy)-5-{3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}-isothiazole-4-carboxylic Acid Amide

Sources & evidence

ORD record
ord-923707d66c494524b6c7ec71448c3145
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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