HRID298434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID81531

Diisopropylethylamine

C8H19N

HCID5356682

7H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-

C6H4ClN3

HCID57750271

未命名化合物

PRODUCTS

生成物

结构：NC1(C(=O)NC(CCCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1

HCID42602175

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-916fb9c9918345c996207908b1413710
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

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