HRID181809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7471

N,N,4-Trimethylaniline

C9H13N

HCID24813

Phosphoric trichloride

Cl3OP

结构：COc1ccc(CN2CC(=O)Nc3ccc(SC)cc3C2=O)c(OC)c1

HCID22713482

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CC(Cl)=Nc3ccc(SC)cc3C2=O)c(OC)c1

HCID22713484

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cf0fccb37724c8facc1a2f8782b65c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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