HRID2152282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID19006019

未命名化合物

HCID59191944

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CCC(n3ccnn3)CC2)ncc1F

HCID59191957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-450659613a374ecf97e21bffcd90f55f
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

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