HRID290364

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID140139

4-Methylbenzoyl isothiocyanate

C9H7NOS

HCID11221223

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccc(C)cc4)c(Cl)c3)c2cc1OC

HCID21889918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29d3e3179a85439f9e509985d5a2608f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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