HRID315406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID588088

3,4-Difluorobenzaldehyde

C7H4F2O

结构：Fc1ccc(CNC2CCOC(C(c3ccccc3)c3ccccc3)C2)cc1

HCID58657599

未命名化合物

HCID66631430

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(CNC2CCC(C(c3ccccc3)c3ccccc3)OC2)cc1F

HCID66631766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d68ddffeaef4de890739f7de74018f0
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

[CH3:31][C:32](=[O:33])[OH:34].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH:14]1[CH2:15][CH2:16][CH:17]([NH2:20])[CH2:18][O:19]1.[CH:39]([CH:40]1[CH2:41][CH:42]([NH:43][CH2:44][c:45]2[cH:46][cH:47][c:48]([F:49])[cH:50][cH:51]2)[CH2:52][CH2:53][O:54]1)([c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[Cl:35][CH2:36][CH2:37][Cl:38].[F:21][c:22]1[cH:23][c:24]([CH:25]=[O:26])[cH:27][cH:28][c:29]1[F:30]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH:14]1[CH2:15][CH2:16][CH:17]([NH:20][CH2:25][c:24]2[cH:23][c:22]([F:21])[c:29]([F:30])[cH:28][cH:27]2)[CH2:18][O:19]1