HRID1558653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID80407

4-Methoxybenzenemethanethiol

C8H10OS

HCID4574913

未命名化合物

结构：COc1cccc(Nc2c(C(N)=O)cnc3ccc(I)cc23)c1

HCID57763213

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CSc2ccc3ncc(C(N)=O)c(Nc4cccc(OC)c4)c3c2)cc1

HCID57763240

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a233e74a555c4428ab007a42f409318b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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