HRID1112808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ncccc1Oc1ccc(-c2cn(C3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)cc1

HCID46841726

未命名化合物

HCID178429033

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Oc2ccc(-c3cn(C4CCc5c(F)cccc5N(CC(F)(F)F)C4=O)nn3)cc2)cc(C)n1

HCID58063620

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6f1f61696f74054b8589a853c83461e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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