HRID1539513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID265306

isoquinoline-1-carbaldehyde

C10H7NO

结构：Cc1cnc(CNCCCCN(C)C(=O)OC(C)(C)C)c(C)c1

HCID58997083

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(CN(CCCCN(C)C(=O)OC(C)(C)C)Cc2nccc3ccccc23)c(C)c1

HCID67273128

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88176163b3694b0eb5fa13eeda12a98f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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