HRID283861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID21458

2-Pentenal, 4-methyl-

C6H10O

结构：CCOC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCNCC2)c1

HCID57666043

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCN(CC=CC(C)C)CC2)c1

HCID66698272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8fdd7e1046645efbc1bdb0106f22f81
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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