HRID1224425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4399784

未命名化合物

结构：Cc1ccc(NC(=O)Nc2ncc(Br)s2)c(C(=O)C2CCCC2)c1

HCID59732797

1-(5-Bromothiazol-2-yl)-3-(2-cyclopentanecarbonyl-4-methyl-phenyl)-urea

C17H18BrN3O2S

PRODUCTS

生成物

结构：COC(=O)C(CSc1cnc(NC(=O)Nc2ccc(C)cc2C(=O)C2CCCC2)s1)NC(=O)OC(C)(C)C

HCID72369977

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a7d03a101f040cc9a33c5e1f6b5bdcf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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