HRID176998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

结构：CNCC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

HCID54041103

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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCCCC1Cc2cc(O)ccc2C2C(F)CC3(C)C(=O)CCC3C12

HCID178483616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5afe1ecd196d4d5fa8a83baf9b40bd6e
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

[CH3:56][N:57]1[CH2:58][CH2:59][CH2:60][C:61]1=[O:62].[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:28][C:29](=[CH:30][CH2:31][NH:32][CH3:33])[C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([F:41])([F:42])[F:43])([F:44])[F:45])([F:46])[F:47])([F:48])[F:49])([F:50])[F:51])([F:52])[F:53])([F:54])[F:55]>>[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:32]([CH2:31][CH:30]=[C:29]([F:28])[C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([F:41])([F:42])[F:43])([F:44])[F:45])([F:46])[F:47])([F:48])[F:49])([F:50])[F:51])([F:52])[F:53])([F:54])[F:55])[CH3:33])[CH:12]2[CH:13]2[CH2:14][CH2:15][C:16](=[O:20])[C:17]2([CH3:18])[CH2:19]1