HRID189496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID795

Imidazole

C3H4N2

结构：COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1

HCID3715

Indomethacin

C19H16ClNO4

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

结构：COc1ccc2c(c1)c(CC(=O)Cl)c(C)n2C(=O)c1ccc(Cl)cc1

HCID88506

[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl chloride

C19H15Cl2NO3

PRODUCTS

生成物

HCID795

Imidazole

C3H4N2

HCID3715

Indomethacin

C19H16ClNO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ea887f677ac4f4a958fd0a1d2d1edf1
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

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[n:7]([C:8](=[O:9])[c:10]3[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]3)[c:17]([CH3:18])[c:19]([CH2:20][C:21]([OH:22])=[O:23])[c:24]2[cH:25]1.[Cl:36][c:37]1[cH:38][cH:39][c:40]([C:41]([n:42]2[c:43]3[c:44]([cH:45][c:46]([O:47][CH3:48])[cH:49][cH:50]3)[c:51]([CH2:52][C:53]([Cl:54])=[O:55])[c:56]2[CH3:57])=[O:58])[cH:59][cH:60]1.[Cl:61][CH2:62][Cl:63].[ClH:35].[S:26]([Cl:27])([Cl:28])=[O:29].[nH:30]1[cH:31][n:32][cH:33][cH:34]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[n:7]([C:8](=[O:9])[c:10]3[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]3)[c:17]([CH3:18])[c:19]([CH2:20][C:21](=[O:22])[OH:23])[c:24]2[cH:25]1.[nH:30]1[cH:31][n:32][cH:33][cH:34]1