HRID199192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID537575

2,2,2-Trifluoro-N-(pyrrolidin-3-YL)acetamide

C6H9F3N2O

结构：CSC1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1

HCID67240096

未命名化合物

PRODUCTS

生成物

结构：O=C1N=C(N2CCC(NC(=O)C(F)(F)F)C2)SC1=Cc1ccc2c(cnn2Cc2ccc(Cl)cc2C(F)(F)F)c1

HCID76756436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81652af1ba5f46b88eaacf77edaf7319
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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