HRID823330

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

结构：CCCCCc1ccc(CNC(Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1

HCID67005051

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)N2CCN(Cc3ccccc3)CC2)cc1

HCID73227327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0513c96be1074f03ad955457418a42c7
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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