HRID288977

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10828280

未命名化合物

HCID12576798

2-(Methylsulfanyl)benzoyl chloride

C8H7ClOS

PRODUCTS

生成物

结构：CSc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1

HCID21837162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-640541e4f38a4cb9b51b453a7b45dbc5
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

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