HRID1115723

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID178418361

未命名化合物

结构：Cc1cc(F)ccc1C1C(OC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OCC2CN(Cc3ccccc3)CC21

HCID178427831

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(F)ccc1C1C(OC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OCC2CNCC21

HCID178427830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57999033d0bc40b29b328f1bab4f9d38
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

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