HRID1146245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

反应SMILES：O=C(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID101856

3,5-Bis(trifluoromethyl)benzoyl chloride

C9H3ClF6O

反应SMILES：O=S(=O)(c1ccccc1)C1CC2(c3ccccc3)C(O)CCC1N2Cc1ccccc1

HCID69684805

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(OC1CCC2C(S(=O)(=O)c3ccccc3)CC1(c1ccccc1)N2Cc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID87950377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d0854b94f9a04b03a4127a87795dfaf0
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[C:9]2([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH:10]([OH:25])[CH2:11][CH2:12][CH:13]1[CH:14]([S:16](=[O:17])(=[O:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH2:15]2.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl:61][CH2:62][Cl:63].[F:39][C:40]([c:41]1[cH:42][c:43]([C:44](=[O:45])[Cl:46])[cH:47][c:48]([C:50]([F:51])([F:52])[F:53])[cH:49]1)([F:54])[F:55].[Na+:60].[O-:56][C:57]([OH:58])=[O:59]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9]2([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH:10]([O:25][C:44]([c:43]3[cH:42][c:41]([C:40]([F:39])([F:54])[F:55])[cH:49][c:48]([C:50]([F:51])([F:52])[F:53])[cH:47]3)=[O:45])[CH2:11][CH2:12][CH:13]1[CH:14]([S:16](=[O:17])(=[O:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH2:15]2