HRID1229284

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10867

Benzyl sulfide

C14H14S

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(CSCc4ccccc4)cc2)CCO3)cc1

HCID18472541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77601740095f459691e3c7ff901b8beb
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

[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[S:37][CH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[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:45]>>[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:37][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1