HRID1549566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8481

4-(Acetylamino)benzenesulfonyl chloride

C8H8ClNO3S

结构：CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(N)C3)c(F)c21

HCID11724607

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(NS(=O)(=O)c4ccc(NC(C)=O)cc4)C3)c(F)c21

HCID18918203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b26ac6cc09a46cd8c4fab812416bfcd
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:25]([CH3:26])(=[O:27])[NH:28][c:29]1[cH:30][cH:31][c:32]([S:35](=[O:36])(=[O:37])[Cl:38])[cH:33][cH:34]1.[CH2:1]([CH3:2])[n:3]1[cH:4][c:5]([C:22](=[O:23])[OH:24])[c:6](=[O:21])[c:7]2[cH:8][c:9]([F:20])[c:10]([N:14]3[CH2:15][CH:16]([NH2:19])[CH2:17][CH2:18]3)[c:11]([F:13])[c:12]12.[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[cH:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[CH2:1]([CH3:2])[n:3]1[cH:4][c:5]([C:22](=[O:23])[OH:24])[c:6](=[O:21])[c:7]2[cH:8][c:9]([F:20])[c:10]([N:14]3[CH2:15][CH:16]([NH:19][S:35]([c:32]4[cH:31][cH:30][c:29]([NH:28][C:25]([CH3:26])=[O:27])[cH:34][cH:33]4)(=[O:36])=[O:37])[CH2:17][CH2:18]3)[c:11]([F:13])[c:12]12