HRID1211909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID561337

Benzyl glycolate

C9H10O3

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)OCC(=O)OCc2ccccc2)C(c2ccc(C#N)cc2)N(CC(=O)OC(C)(C)C)C(=O)N1c1cccc(C(F)(F)F)c1

HCID59684853

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69aec8f8182c4104bcc9ce276de96141
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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][C:44](=[O:45])[O:46][CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]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][C:44](=[O:45])[O:46][CH2:47][c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]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