HRID213101

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID62324

Propanoyl chloride

C3H5ClO

HCID152932

1-(Bis(4-fluorophenyl)methyl)piperazine

C17H18F2N2

HCID53824140

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C=CC=CC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC

HCID54241031

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c960432c26644bd8c171fab2e95f33d
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

[C:62]([O:63][CH2:64][CH3:65])(=[O:66])[CH3:67].[CH2:27]([C:28]([Cl:29])=[O:30])[CH3:31].[CH3:1][O:2][c:3]1[c:4]([CH:13]=[CH:14][CH:15]=[CH:16][C:17](=[O:18])[OH:19])[cH:5][cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61].[Cl:53][CH2:54][Cl:55].[F:32][c:33]1[cH:34][cH:35][c:36]([CH:37]([c:38]2[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]2)[N:45]2[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]2)[cH:51][cH:52]1.[OH2:68]>>[CH3:1][O:2][c:3]1[c:4]([CH:13]=[CH:14][CH:15]=[CH:16][C:17](=[O:19])[N:48]2[CH2:47][CH2:46][N:45]([CH:37]([c:36]3[cH:35][cH:34][c:33]([F:32])[cH:52][cH:51]3)[c:38]3[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]3)[CH2:50][CH2:49]2)[cH:5][cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10]