HRID291343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID77466

1,3-Cyclopentanedione

C5H6O2

结构：CC(OC1CNCC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID11327631

未命名化合物

PRODUCTS

生成物

结构：CC(OC1CN(C2=CC(=O)CC2)CC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID11364084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cff0dbf13db14103a16f61f4930f0c4b
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

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