HRID306254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID14809282

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

C7H6ClN3

结构：CN(C)C(=O)Oc1cccc(NC(=O)C2(C)CCNCC2)c1

HCID67036786

未命名化合物

PRODUCTS

生成物

结构：Cc1c[nH]c2ncnc(N3CCC(C)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12

HCID57920198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9aafdd988c724fd698de86583a11cfac
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

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