HRID120462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID221095

4-Chloro-1H-pyrazolo[3,4-d]pyrimidine

C5H3ClN4

HCID178488777

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2c[nH]c(C3CCN(c4ncnc5[nH]ncc45)CC3)n2)cc1

HCID178488776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2843420564ee434e84b5c0276d0601a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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