HRID286602

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID74939

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

C10H7F3O2

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=Cc2ccccc2C(F)(F)F)C(Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1

HCID91234244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a48b8d44fb54b809ce3c4a04011e474
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]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][N:11]([C:14]([CH:15]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[NH:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:29][cH:30]2)=[O:36])[CH2:12][CH2:13]1.[F:37][C:38]([c:39]1[c:40]([CH:41]=[CH:42][C:43](=[O:44])[OH:45])[cH:46][cH:47][cH:48][cH:49]1)([F:50])[F:51]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][N:11]([C:14]([CH:15]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[N:23]([CH2:24][c:25]2[cH:26][cH:27][c:28]([CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:29][cH:30]2)[C:43]([CH:42]=[CH:41][c:40]2[c:39]([C:38]([F:37])([F:50])[F:51])[cH:49][cH:48][cH:47][cH:46]2)=[O:44])=[O:36])[CH2:12][CH2:13]1