HRID151741

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID260

Hydrogen Bromide

BrH

HCID8471

Triethylamine

C6H15N

HCID240534

1H-Isoindole-1,3(2H)-dione,2-(4-bromopentyl)-

C13H14BrNO2

HCID605229

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NC(C)CCCN2C(=O)c3ccccc3C2=O)c2ncccc2c1Oc1ccc(Cl)cc1

HCID629963

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ec26fe81fec44b2a8f86d18ee67f792
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:22][CH:23]([CH2:24][CH2:25][CH2:26][N:27]1[C:28](=[O:37])[c:29]2[c:30]([cH:33][cH:34][cH:35][cH:36]2)[C:31]1=[O:32])[CH3:38].[BrH:46].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:47][C:48](=[O:49])[CH3:50].[NH2:1][c:2]1[cH:3][c:4]([O:20][CH3:21])[c:5]([O:12][c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[c:6]2[cH:7][cH:8][cH:9][n:10][c:11]12>>[NH:1]([c:2]1[cH:3][c:4]([O:20][CH3:21])[c:5]([O:12][c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[c:6]2[cH:7][cH:8][cH:9][n:10][c:11]12)[CH:23]([CH2:24][CH2:25][CH2:26][N:27]1[C:28](=[O:37])[c:29]2[c:30]([cH:33][cH:34][cH:35][cH:36]2)[C:31]1=[O:32])[CH3:38]