HRID940963

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID22250181

1-Chloro-7-methoxyisoquinoline

C10H8ClNO

结构：CC(C)(C)OC(=O)N1CCNCC1Cc1ccc2c(c1)OCO2

HCID23155618

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2ccnc(N3CCN(C(=O)OC(C)(C)C)C(Cc4ccc5c(c4)OCO5)C3)c2c1

HCID23155801

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8eebbe9324a41b7b4181e335cd9a76e
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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