HRID1207142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID21584499

未命名化合物

结构：CC(C)c1ccc(N(CCCc2cccc(O)c2)Cc2ccc(OC(F)(F)F)cc2)nc1

HCID59643168

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc(N(CCCc2cccc(OCC(=O)O)c2)Cc2ccc(OC(F)(F)F)cc2)nc1

HCID59643342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57385d8ede1d4c05b1f9a302005c23a5
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:33]([CH3:35])([CH3:36])([CH:37]([Br:34])[C:38](=[O:39])[O-:40])[CH3:41].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([N:10]([CH2:11][CH2:12][CH2:13][c:14]2[cH:15][c:16]([OH:20])[cH:17][cH:18][cH:19]2)[CH2:21][c:22]2[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]2)[n:8][cH:9]1.[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([N:10]([CH2:11][CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:20][CH2:37][C:38](=[O:39])[OH:40])[cH:17][cH:18][cH:19]2)[CH2:21][c:22]2[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]2)[n:8][cH:9]1