HRID317613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID94205

Piperidine, 2-ethyl-

C7H15N

HCID407896

3-Isoquinolinecarboxylic acid, 1-phenyl-

C16H11NO2

PRODUCTS

产物

HCID24842681

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-960f066f59d34d858832a47964defc87
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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