HRID663466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7375

3-(Trifluoromethyl)aniline

C7H6F3N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COc1ccc(CC2SC(=O)NC2=O)c2c1N(CC(=O)O)C(=O)CC2

HCID86613948

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC2SC(=O)NC2=O)c2c1N(CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)CC2

HCID86613950

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-450b16d7cde74325a8ce9eda9d77e174
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1](=[O:2])([OH:3])[CH2:4][N:5]1[C:6](=[O:25])[CH2:7][CH2:8][c:9]2[c:10]([CH2:17][CH:18]3[C:19](=[O:24])[NH:20][C:21](=[O:23])[S:22]3)[cH:11][cH:12][c:13]([O:15][CH3:16])[c:14]21.[F:26][C:27]([c:28]1[cH:29][c:30]([NH2:31])[cH:32][cH:33][cH:34]1)([F:35])[F:36].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:47].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[C:1](=[O:2])([CH2:4][N:5]1[C:6](=[O:25])[CH2:7][CH2:8][c:9]2[c:10]([CH2:17][CH:18]3[C:19](=[O:24])[NH:20][C:21](=[O:23])[S:22]3)[cH:11][cH:12][c:13]([O:15][CH3:16])[c:14]21)[NH:31][c:30]1[cH:29][c:28]([C:27]([F:26])([F:35])[F:36])[cH:34][cH:33][cH:32]1