HRID123888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID76980

1-(2-Hydroxyethyl)pyrrolidin-2-one

C6H11NO2

结构：CC1=C(C(=O)n2ccnc2)C(c2ccc(C#N)cc2)N(CC(=O)OC(C)(C)C)C(=O)N1c1cccc(C(F)(F)F)c1

HCID59684795

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)OCCN2CCCC2=O)C(c2ccc(C#N)cc2)N(CC(=O)OC(C)(C)C)C(=O)N1c1cccc(C(F)(F)F)c1

HCID59684855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cda089aae106451da50f4546651da730
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[cH:4][cH:5][c:6]([CH:9]2[C:10]([C:35](=[O:36])[n:37]3[cH:38][cH:39][n:40][cH:41]3)=[C:11]([CH3:34])[N:12]([c:24]3[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:28][cH:29]3)[C:13](=[O:23])[N:14]2[CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:7][cH:8]1.[OH:42][CH2:43][CH2:44][N:45]1[C:46](=[O:50])[CH2:47][CH2:48][CH2:49]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]2[C:10]([C:35](=[O:36])[O:42][CH2:43][CH2:44][N:45]3[C:46](=[O:50])[CH2:47][CH2:48][CH2:49]3)=[C:11]([CH3:34])[N:12]([c:24]3[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:28][cH:29]3)[C:13](=[O:23])[N:14]2[CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:7][cH:8]1