HRID213696

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

HCID8471

Triethylamine

C6H15N

结构：FC(F)(F)c1nnc2n1N=C(N1CCC(c3ccc(OCCN4CCNCC4)cc3)CC1)CC2

HCID68503084

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1

HCID46893585

1-{4-[2-(4-{1-[3-(Trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl}phenoxy)ethyl]piperazin-1-yl}ethan-1-one

C25H32F3N7O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b29c0f6461e448b0b667fa0dd2c410eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][C:2]([Cl:3])=[O:4].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:46][CH2:47][Cl:48].[N:5]1([CH2:11][CH2:12][O:13][c:14]2[cH:15][cH:16][c:17]([CH:20]3[CH2:21][CH2:22][N:23]([C:26]4=[N:31][n:30]5[c:29]([n:34][n:33][c:32]5[C:35]([F:36])([F:37])[F:38])[CH2:28][CH2:27]4)[CH2:24][CH2:25]3)[cH:18][cH:19]2)[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]1.[OH2:49]>>[CH3:1][C:2](=[O:4])[N:8]1[CH2:7][CH2:6][N:5]([CH2:11][CH2:12][O:13][c:14]2[cH:15][cH:16][c:17]([CH:20]3[CH2:21][CH2:22][N:23]([C:26]4=[N:31][n:30]5[c:29]([n:34][n:33][c:32]5[C:35]([F:36])([F:37])[F:38])[CH2:28][CH2:27]4)[CH2:24][CH2:25]3)[cH:18][cH:19]2)[CH2:10][CH2:9]1