HRID1221434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID667618

1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine

C10H12F3N3

结构：COc1cccc(C=Cc2nc3sccn3c2C(=O)O)c1OCC1CC1

HCID68405943

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C=Cc2nc3sccn3c2C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1OCC1CC1

HCID67381897

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa7cfa03470242a09ead2993aec627e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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