HRID1554516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID21061

Benzenethiol, p-(dimethylamino)-

C8H11NS

结构：COc1cccc(CNC(=O)c2nc(Br)c3cccnc3c2O)c1OC

HCID22346378

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(CNC(=O)c2nc(Sc3ccc(N(C)C)cc3)c3cccnc3c2O)c1OC

HCID22346273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9be574b029d744a694d0ffcab09f9160
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

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