HRID2147676

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

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

C7H6N4O

HCID81184

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

C9H16N2

结构：CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1

HCID10346902

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1

HCID9939191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0ca2485154d4062b912a97c367a0f5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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