HRID2328831

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID962

Water

H2O

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

HCID3715

Indomethacin

C19H16ClNO4

HCID7510

Nicotinyl alcohol

C6H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

PRODUCTS

生成物

结构：COc1ccc2c(c1)c(CC(=O)OCc1cccnc1)c(C)n2C(=O)c1ccc(Cl)cc1

HCID20395050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-367009cca5f743788f581b256ed3111c
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

[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[n:8]2[c:9]([CH3:23])[c:10]([CH2:19][C:20](=[O:21])[OH:22])[c:11]3[cH:12][c:13]([O:17][CH3:18])[cH:14][cH:15][c:16]23)[cH:24][cH:25]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:56].[S:26]([Cl:27])([Cl:28])=[O:29].[cH:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[n:30]1[cH:31][c:32]([CH2:36][OH:37])[cH:33][cH:34][cH:35]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[n:8]2[c:9]([CH3:23])[c:10]([CH2:19][C:20]([O:21][CH2:36][c:32]3[cH:31][n:30][cH:35][cH:34][cH:33]3)=[O:22])[c:11]3[cH:12][c:13]([O:17][CH3:18])[cH:14][cH:15][c:16]23)[cH:24][cH:25]1