HRID2328488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

HCID72899

Indole-2-carboxylic acid

C9H7NO2

结构：COc1cc(C)cc(OC)c1C1=NC(N)C(=O)N(C)c2ccccc21

HCID15379622

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)cc(OC)c1C1=NC(NC(=O)c2cc3ccccc3[nH]2)C(=O)N(C)c2ccccc21

HCID9805268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d64052cc7b624bcf857e45ca25ccc2e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Cl:48][CH2:49][Cl:50].[NH2:23][CH:24]1[C:25](=[O:47])[N:26]([CH3:46])[c:27]2[c:28]([cH:42][cH:43][cH:44][cH:45]2)[C:29]([c:31]2[c:32]([O:40][CH3:41])[cH:33][c:34]([CH3:39])[cH:35][c:36]2[O:37][CH3:38])=[N:30]1.[OH2:51].[S:7]([Cl:8])([Cl:9])=[O:10].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1.[nH:11]1[c:12]([C:20](=[O:21])[OH:22])[cH:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]12>>[nH:11]1[c:12]([C:20](=[O:22])[NH:23][CH:24]2[C:25](=[O:47])[N:26]([CH3:46])[c:27]3[c:28]([cH:42][cH:43][cH:44][cH:45]3)[C:29]([c:31]3[c:32]([O:40][CH3:41])[cH:33][c:34]([CH3:39])[cH:35][c:36]3[O:37][CH3:38])=[N:30]2)[cH:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]12