HRID1560490

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

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID62406

未命名化合物

HCID12109074

6-Aminopyridine-3-sulfonyl chloride

C5H5ClN2O2S

结构：CC#CC1CN(C(=O)OCc2ccccc2)CCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

HCID86670418

未命名化合物

PRODUCTS

生成物

结构：CC#CC1CN(S(=O)(=O)c2ccc(N)nc2)CCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

HCID76314158

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5acd62c7e59348d2ad05937d79d50498
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

[C:1](#[C:2][CH3:3])[CH:4]1[CH2:5][N:6]([C:26]([O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)=[O:35])[CH2:7][CH2:8][N:9]1[c:10]1[cH:11][cH:12][c:13]([C:16]([C:17]([F:18])([F:19])[F:20])([C:21]([F:22])([F:23])[F:24])[OH:25])[cH:14][cH:15]1.[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[Cl:74][CH2:75][Cl:76].[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42].[NH2:63][c:64]1[cH:65][cH:66][c:67]([S:70](=[O:71])(=[O:72])[Cl:73])[cH:68][n:69]1.[Na+:55].[O-:51][C:52]([OH:53])=[O:54].[OH:43][S:44]([C:45]([F:46])([F:47])[F:48])(=[O:49])=[O:50]>>[C:1](#[C:2][CH3:3])[CH:4]1[CH2:5][N:6]([S:70]([c:67]2[cH:66][cH:65][c:64]([NH2:63])[n:69][cH:68]2)(=[O:71])=[O:72])[CH2:7][CH2:8][N:9]1[c:10]1[cH:11][cH:12][c:13]([C:16]([C:17]([F:18])([F:19])[F:20])([C:21]([F:22])([F:23])[F:24])[OH:25])[cH:14][cH:15]1