HRID1225286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8082

Piperidine

C5H11N

HCID20761730

未命名化合物

结构：O=C1Cc2c(cccc2-c2ccc(OC(F)(F)F)cc2)N1

HCID22561778

未命名化合物

PRODUCTS

生成物

结构：Cc1[nH]c(C=C2C(=O)Nc3cccc(-c4ccc(OC(F)(F)F)cc4)c32)c(C)c1C(=O)NCCn1ccnn1

HCID24941307

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd1516fde0884de3995bb08df0b1ef3d
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

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