HRID2140393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID572345

4-(Methylsulfonyl)phenylacetic acid

C9H10O4S

HCID703518

未命名化合物

PRODUCTS

生成物

结构：CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)Cc1ccc(S(C)(=O)=O)cc1

HCID9956080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8de00941c5046bca0f1e30054d0c9bf
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

[CH2:32]([CH3:33])[NH:34][c:35]1[c:36]([NH2:48])[cH:37][c:38]([S:41](=[O:42])(=[O:43])[C:44]([F:45])([F:46])[F:47])[cH:39][cH:40]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][C:12](=[O:13])[OH:14])[cH:9][cH:10]1.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:49][C:50]#[N:51].[OH:15][n:16]1[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][C:12](=[O:14])[NH:48][c:36]2[c:35]([NH:34][CH2:32][CH3:33])[cH:40][cH:39][c:38]([S:41](=[O:42])(=[O:43])[C:44]([F:45])([F:46])[F:47])[cH:37]2)[cH:9][cH:10]1