HRID1558216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID2737531

4-Amino-1-methylpiperidine

C6H14N2

结构：CC(=O)N1Cc2nc(Cl)nc(Nc3ccc(F)c(Cl)c3)c2N=C1Cl

HCID22592970

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1Cc2nc(Cl)nc(Nc3ccc(F)c(Cl)c3)c2N=C1NC1CCN(C)CC1

HCID178473742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a039a58ab70b4851a9cca42a648ac53e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([NH2:8])[CH2:6][CH2:7]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl:9][C:10]1=[N:15][c:14]2[c:13]([n:19][c:18]([Cl:20])[n:17][c:16]2[NH:21][c:22]2[cH:23][c:24]([Cl:29])[c:25]([F:28])[cH:26][cH:27]2)[CH2:12][N:11]1[C:30]([CH3:31])=[O:32].[OH2:45]>>[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([NH:8][C:10]2=[N:15][c:14]3[c:13]([n:19][c:18]([Cl:20])[n:17][c:16]3[NH:21][c:22]3[cH:23][c:24]([Cl:29])[c:25]([F:28])[cH:26][cH:27]3)[CH2:12][N:11]2[C:30]([CH3:31])=[O:32])[CH2:6][CH2:7]1