HRID95207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID54248118

未命名化合物

结构：CC12CC(F)C3c4ccc(O)cc4CC(CCCCCI)C3C1CCC2=O

HCID178421446

未命名化合物

PRODUCTS

生成物

结构：CN(CC=C(F)C(F)(F)C(F)(F)C(F)(F)F)CCCCCC1Cc2cc(O)ccc2C2C(F)CC3(C)C(=O)CCC3C12

HCID178483618

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9e18e34c891448c863fed8718c2fb18
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

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