HRID1132457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID14809282

4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine

C7H6ClN3

HCID68991112

未命名化合物

PRODUCTS

生成物

结构：C=CCC1(C(=O)Nc2cccc(Cl)c2)CCN(c2ncnc3[nH]cc(C)c23)CC1

HCID44482388

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be292668bb494c7ebf531f11597d4967
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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