HRID669112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7504

Benzylamine

C7H9N

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CCl)cc2)CCO3)cc1

HCID18472316

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CNCc4ccccc4)cc2)CCO3)cc1

HCID18472536

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91c0b8d1e3914db190f9700bce9e4f32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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