HRID1575466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID223070

(3-chloro-4-fluorophenoxy)acetic acid

C8H6ClFO3

HCID59466506

未命名化合物

PRODUCTS

生成物

结构：O=C(COc1ccc(F)c(Cl)c1)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1

HCID53627595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b89be2063e44321bd3ca7df7648c644
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

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