HRID804097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID82604

Nicotinoyl chloride

C6H4ClNO

HCID12992616

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc2c(N)nc3cccnc3c2n1CCCCNC(=O)c1cccnc1

HCID12987864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4df8fb916d740879400fb12fb642a90
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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