HRID307481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID67684

4-(Trifluoromethyl)benzyl alcohol

C8H7F3O

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID68882717

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)Oc1cccc(C2CCCN(C(=O)OCc3ccc(C(F)(F)F)cc3)C2)c1

HCID178500541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e5a532db5284932a4e7ca2391b6baa6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:13](=[O:14])([n:15]1[cH:16][cH:17][n:18][cH:19]1)[n:20]1[cH:21][cH:22][n:23][cH:24]1.[CH3:25][O:26][C:27]([C:28]([CH3:29])([O:30][c:31]1[cH:32][c:33]([CH:37]2[CH2:38][NH:39][CH2:40][CH2:41][CH2:42]2)[cH:34][cH:35][cH:36]1)[CH3:43])=[O:44].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH2:7][OH:8])[cH:9][cH:10]1)([F:11])[F:12]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][C:13](=[O:14])[N:39]2[CH2:38][CH:37]([c:33]3[cH:32][c:31]([O:30][C:28]([C:27]([O:26][CH3:25])=[O:44])([CH3:29])[CH3:43])[cH:36][cH:35][cH:34]3)[CH2:42][CH2:41][CH2:40]2)[cH:9][cH:10]1)([F:11])[F:12]