HRID2124365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID221095

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

C5H3ClN4

HCID66674700

未命名化合物

PRODUCTS

生成物

结构：NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ncc23)CC1

HCID66673240

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74a47ef421e1421590f0aa62ff65ff63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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