HRID181264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8713

2-Aminobenzenethiol

C6H7NS

HCID81531

Diisopropylethylamine

C8H19N

HCID96588

Benzothiazoline

C7H7NS

HCID86668176

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CSc3ccccc32)cc(Cl)c1OCc1ccccc1

HCID68108628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59412a3432f14dce9bd5c11aa652b73c
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

[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:34][c:35]1[c:36]([Cl:46])[cH:37][c:38]([C:39](=[O:40])[Cl:41])[cH:42][c:43]1[O:44][CH3:45].[CH:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH2:23][CH3:24])([CH3:25])[CH3:26].[Cl:47][CH2:48][Cl:49].[NH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][c:16]1[SH:17].[S:1]1[CH2:2][NH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[S:1]1[CH2:2][N:3]([C:39]([c:38]2[cH:37][c:36]([Cl:46])[c:35]([O:34][CH2:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[c:43]([O:44][CH3:45])[cH:42]2)=[O:40])[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2