HRID1545859

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID12889

Benzoic acid, 3,5-bis(trifluoromethyl)-

C9H4F6O2

HCID152842

Bis(2-oxo-3-oxazolidinyl)phosphinic chloride

C6H8ClN2O5P

结构：O=C(N(CCc1ccccc1)C1CCNC(Cc2ccccc2)C1)C(F)(F)F

HCID19432903

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(N(CCc2ccccc2)C(=O)C(F)(F)F)CC1Cc1ccccc1

HCID54315829

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27b35f357a10475ca28efdf719adeef5
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

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