HRID2155323

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8471

Triethylamine

C6H15N

HCID5356682

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

C6H4ClN3

结构：CC1(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CCNCC1

HCID67036908

未命名化合物

PRODUCTS

生成物

结构：CC1(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CCN(c2ncnc3[nH]ccc23)CC1

HCID57920193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c97b9cafed3547688ca01290f72d637f
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

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