HRID188535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID6212

Chloroform

CHCl3

HCID80511

N-Methyl-1,3-propanediamine

C4H12N2

HCID81531

Diisopropylethylamine

C8H19N

HCID11738112

(2-chloroquinazolin-4-yl)-(4-methoxyphenyl)-methylamine

C16H14ClN3O

PRODUCTS

生成物

结构：COc1ccc(N(C)c2nc(N(C)CCCN)nc3ccccc23)cc1

HCID59242013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-187889639600427cb00b69aed0191a64
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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