HRID209983

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID67684

4-(Trifluoromethyl)benzyl alcohol

C8H7F3O

结构：Cc1cccc(C)c1NC(=O)CN1CCN(CC(O)COC2Cc3ccccc3C2)CC1

HCID10181578

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C)c1NC(=O)CN1CCN(CC(O)COCc2ccc(C(F)(F)F)cc2)CC1

HCID10140596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc571a4a4d394a2a8c99e1b963889076
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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