HRID138873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID89166

2,2,2-Trifluoro-1-phenylethan-1-amine

C8H8F3N

结构：CCCN(c1cc(COCC(C)(Cc2ccccc2)NC(=O)OC(C)(C)C)cc(C(=O)O)c1)S(C)(=O)=O

HCID58856337

未命名化合物

PRODUCTS

生成物

结构：CCCN(c1cc(COCC(C)(Cc2ccccc2)NC(=O)OC(C)(C)C)cc(C(=O)NC(c2ccccc2)C(F)(F)F)c1)S(C)(=O)=O

HCID86612067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76644719aa2543938187ac634b574bbd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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