HRID1544188

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID13831

Tributylphosphine

C12H27P

HCID59729401

未命名化合物

结构：CCCCCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

HCID59729413

未命名化合物

PRODUCTS

生成物

结构：CCCCCCC(Oc1ccc(C(=O)NCCC(=O)OCC)cc1F)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

HCID59729387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef6edf6bfa424440883554139efcb44d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:25]([CH3:26])[O:27][C:28]([CH2:29][CH2:30][NH:31][C:32]([c:33]1[cH:34][c:35]([F:40])[c:36]([OH:39])[cH:37][cH:38]1)=[O:41])=[O:42].[CH2:43]([P:44]([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([CH:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[OH:22])[cH:13][cH:14]2)[cH:7][cH:8]1)([F:23])[F:24]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]([CH:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[O:22][c:36]3[c:35]([F:40])[cH:34][c:33]([C:32]([NH:31][CH2:30][CH2:29][C:28]([O:27][CH2:25][CH3:26])=[O:42])=[O:41])[cH:38][cH:37]3)[cH:13][cH:14]2)[cH:7][cH:8]1)([F:23])[F:24]