HRID87986

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID166653

Hydride

H-

HCID2773346

2-oxoindoline-5-carbonitrile

C9H6N2O

HCID11141261

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc2c(C3C(=O)Nc4ccc(C#N)cc43)ncnc2cc1OCCn1ccnc1

HCID10194718

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17384c7c84a54c7eaca3437ef7257642
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:9]([cH:10][cH:11]1)[NH:8][C:7](=[O:12])[CH2:6]2.[CH2:44]([Cl:45])[Cl:46].[CH3:47][OH:48].[Cl-:36].[Cl:15][c:16]1[n:17][cH:18][n:19][c:20]2[cH:21][c:22]([O:28][CH2:29][CH2:30][n:31]3[cH:32][n:33][cH:34][cH:35]3)[c:23]([O:26][CH3:27])[cH:24][c:25]12.[ClH:38].[H-:13].[NH4+:37].[Na+:14].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:9]([cH:10][cH:11]1)[NH:8][C:7](=[O:12])[CH:6]2[c:16]1[n:17][cH:18][n:19][c:20]2[cH:21][c:22]([O:28][CH2:29][CH2:30][n:31]3[cH:32][n:33][cH:34][cH:35]3)[c:23]([O:26][CH3:27])[cH:24][c:25]12.[ClH:15]