HRID174514

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23523

Dicyclohexyl sulphide

C12H22S

HCID5360545

Sodium

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(CSC4CCCCC4)cc2)CCO3)cc1

HCID18472260

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ddd526322cb405d87185aa22ba8d3fe
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

[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH:30]1([S:36][CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1.[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.[Na:43]>>[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)[S:36][CH:30]1[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1