HRID679756

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID6363

Isopropylamine

C3H9N

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(Nc1nc(Nc2cc(C3CC3)[nH]n2)c(F)c(I)c1C#N)c1ccc(F)cc1

HCID67456777

未命名化合物

PRODUCTS

生成物

结构：CC(C)Nc1c(F)c(Nc2cc(C3CC3)[nH]n2)nc(NC(C)c2ccc(F)cc2)c1C#N

HCID67458904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37358012d099415eb32715818403b87b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:46]([OH:47])[CH2:48][CH2:49][CH3:50].[CH3:39][CH:40]([NH2:41])[CH3:42].[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[n:11][c:12]([NH:20][CH:21]([CH3:22])[c:23]4[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]4)[c:13]([C:14]#[N:15])[c:16]([I:19])[c:17]3[F:18])[n:7][nH:8]2)[CH2:2][CH2:3]1.[CH:30]([CH3:31])([CH3:32])[N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38].[Cl:43][CH2:44][Cl:45]>>[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[n:11][c:12]([NH:20][CH:21]([CH3:22])[c:23]4[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]4)[c:13]([C:14]#[N:15])[c:16]([NH:33][CH:30]([CH3:31])[CH3:32])[c:17]3[F:18])[n:7][nH:8]2)[CH2:2][CH2:3]1