HRID200113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID74940

3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid

C10H7F3O2

HCID81531

Diisopropylethylamine

C8H19N

HCID640792

1-Chloro-N,N,2-trimethylpropenylamine

C6H12ClN

HCID67005744

未命名化合物

PRODUCTS

生成物

结构：CCCCCc1ccc(CN(C(=O)C=Cc2ccc(C(F)(F)F)cc2)C(Cc2ccccc2)C(=O)OC)cc1

HCID67005476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e2a2235255640c3af1ff48584fe1464
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

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