HRID699745

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID24841

Hydrogen iodide

HCID87203

5-Chloro-1H-indole-2,3-dione

C8H4ClNO2

2 次

HCID166653

Hydride

H-

HCID849435

未命名化合物

HCID5360545

Sodium

HCID5462224

Magnesium

PRODUCTS

生成物

结构：COc1ccc(C2OCC(C)(C)CO2)cc1C1(O)C(=O)Nc2ccc(Cl)cc21

HCID67042979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ef2b5d430144f49ac5ad22c0e04dded
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:3][c:4]1[cH:5][c:6]([CH:12]2[O:13][CH2:14][C:15]([CH3:18])([CH3:19])[CH2:16][O:17]2)[cH:7][cH:8][c:9]1[O:10][CH3:11].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[Cl-:47].[Cl:21][c:22]1[cH:23][c:24]2[c:28]([cH:29][cH:30]1)[NH:27][C:26](=[O:31])[C:25]2=[O:32].[Cl:33][c:34]1[cH:35][c:36]2[c:37]([cH:38][cH:39]1)[NH:40][C:41](=[O:42])[C:43]2=[O:44].[H-:45].[I:2].[Mg:1].[NH4+:48].[Na+:46].[Na:20]>>[c:4]1([C:25]2([OH:32])[c:24]3[cH:23][c:22]([Cl:21])[cH:30][cH:29][c:28]3[NH:27][C:26]2=[O:31])[cH:5][c:6]([CH:12]2[O:13][CH2:14][C:15]([CH3:18])([CH3:19])[CH2:16][O:17]2)[cH:7][cH:8][c:9]1[O:10][CH3:11]