HRID692680

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID81531

Diisopropylethylamine

C8H19N

HCID148705

Acetamide, N-(4-(chloromethyl)phenyl)-

C9H10ClNO

结构：OC(c1ccc(OC(F)(F)F)cc1)(c1ccc(OC(F)(F)F)cc1)C1CCNCC1

HCID19040926

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1

HCID15515182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b5de0473d3d4ebaab8fbcd7b5a509a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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