HRID301244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID260

Hydrogen Bromide

BrH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2777399

4-(Trifluoromethyl)benzenesulfonyl chloride

C7H4ClF3O2S

HCID44177300

未命名化合物

PRODUCTS

产物

HCID44177821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3ac9421c027a4b9caeecd9e5b65c4181
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

[BrH:42].[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([NH:14][C:15](=[O:16])[c:17]3[cH:18][c:19]4[c:20]5[c:21]([nH:22][c:23]4[cH:24][cH:25]3)[CH2:26][CH2:27][N:28]([C:30]([O:31][CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)=[O:39])[CH2:29]5)[CH2:12][CH2:13]2)[cH:40][cH:41]1.[C:43]([OH:44])(=[O:45])[CH3:46].[C:68](=[O:69])([OH:70])[O-:71].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[Cl:73][CH2:74][Cl:75].[F:54][C:55]([c:56]1[cH:57][cH:58][c:59]([S:62](=[O:63])(=[O:64])[Cl:65])[cH:60][cH:61]1)([F:66])[F:67].[Na+:72]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([NH:14][C:15](=[O:16])[c:17]3[cH:18][c:19]4[c:20]5[c:21]([nH:22][c:23]4[cH:24][cH:25]3)[CH2:26][CH2:27][N:28]([S:62]([c:59]3[cH:58][cH:57][c:56]([C:55]([F:54])([F:66])[F:67])[cH:61][cH:60]3)(=[O:63])=[O:64])[CH2:29]5)[CH2:12][CH2:13]2)[cH:40][cH:41]1