HRID107120

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9774

1,1,1-Trifluoro-2-propanol

C3H5F3O

结构：N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccc(F)cc3Cl)CC2C(=O)N2CC(F)(F)C2)CC1

HCID178510640

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1ccc(S(=O)(=O)C2CC(C(=O)NC3(C#N)CC3)C(C(=O)N3CC(F)(F)C3)C2)c(Cl)c1)C(F)(F)F

HCID72340419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-539610ef812c4f819570a54a57e0602a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1](#[N:2])[C:3]1([NH:6][C:7](=[O:8])[CH:9]2[CH:10]([C:25](=[O:26])[N:27]3[CH2:28][C:29]([F:31])([F:32])[CH2:30]3)[CH2:11][CH:12]([S:14](=[O:15])(=[O:16])[c:17]3[c:18]([Cl:24])[cH:19][c:20]([F:23])[cH:21][cH:22]3)[CH2:13]2)[CH2:4][CH2:5]1.[F:33][C:34]([CH:35]([CH3:36])[OH:37])([F:38])[F:39]>>[C:1](#[N:2])[C:3]1([NH:6][C:7](=[O:8])[CH:9]2[CH:10]([C:25](=[O:26])[N:27]3[CH2:28][C:29]([F:31])([F:32])[CH2:30]3)[CH2:11][CH:12]([S:14](=[O:15])(=[O:16])[c:17]3[c:18]([Cl:24])[cH:19][c:20]([O:37][CH:35]([C:34]([F:33])([F:38])[F:39])[CH3:36])[cH:21][cH:22]3)[CH2:13]2)[CH2:4][CH2:5]1