HRID2335967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8058

n-Hexane

C6H14

HCID67340

Hexanoyl chloride

C6H11ClO

结构：COC(=O)c1ccc(Cc2cn(C)c3ccc(N)cc23)c(OC)c1

HCID11209537

Methyl 4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-methoxybenzoate

C19H20N2O3

PRODUCTS

生成物

结构：CCCCCC(=O)Nc1ccc2c(c1)c(Cc1ccc(C(=O)OC)cc1OC)cn2C

HCID23365856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d618315aae543ac8e8827115782b14f
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

[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])(=[O:7])[Cl:8].[CH3:33][N:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[Cl:41][CH2:42][Cl:43].[ClH:40].[NH2:9][c:10]1[cH:11][c:12]2[c:13]([CH2:20][c:21]3[c:22]([O:31][CH3:32])[cH:23][c:24]([C:25](=[O:26])[O:27][CH3:28])[cH:29][cH:30]3)[cH:14][n:15]([CH3:19])[c:16]2[cH:17][cH:18]1>>[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])(=[O:7])[NH:9][c:10]1[cH:11][c:12]2[c:13]([CH2:20][c:21]3[c:22]([O:31][CH3:32])[cH:23][c:24]([C:25](=[O:26])[O:27][CH3:28])[cH:29][cH:30]3)[cH:14][n:15]([CH3:19])[c:16]2[cH:17][cH:18]1