HRID954948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9935

Benzoic acid, 2-fluoro-

C7H5FO2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1F

HCID9986353

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2F)cc1F

HCID10259447

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8359caf1139b4cd2878911e8d2d08369
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:54]([n:55]1[cH:56][cH:57][n:58][cH:59]1)([n:60]1[cH:61][cH:62][n:63][cH:64]1)=[O:65].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:26][c:27]2[c:28]([F:43])[cH:29][c:30](-[c:33]3[c:34]([S:39]([NH2:40])(=[O:41])=[O:42])[cH:35][cH:36][cH:37][cH:38]3)[cH:31][cH:32]2)[c:7](=[O:25])[n:8](-[c:10]2[c:11]([C:21]([F:22])([F:23])[F:24])[cH:12][cH:13][c:14]([NH:16][C:17]([CH2:18][CH3:19])=[O:20])[cH:15]2)[n:9]1.[CH2:66]1[CH2:67][CH2:68][C:69]2=[N:74][CH2:73][CH2:72][CH2:71][N:70]2[CH2:75][CH2:76]1.[CH3:77][N:78]([c:79]1[cH:80][cH:81][n:82][cH:83][cH:84]1)[CH3:85].[OH:44][C:45](=[O:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][c:52]1[F:53]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:26][c:27]2[c:28]([F:43])[cH:29][c:30](-[c:33]3[c:34]([S:39]([NH:40][C:45](=[O:44])[c:47]4[cH:48][cH:49][cH:50][cH:51][c:52]4[F:53])(=[O:41])=[O:42])[cH:35][cH:36][cH:37][cH:38]3)[cH:31][cH:32]2)[c:7](=[O:25])[n:8](-[c:10]2[c:11]([C:21]([F:22])([F:23])[F:24])[cH:12][cH:13][c:14]([NH:16][C:17]([CH2:18][CH3:19])=[O:20])[cH:15]2)[n:9]1