HRID665193

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID13367

2-Propene-1-thiol

C3H6S

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

3 次

HCID4534583

未命名化合物

结构：COC(=O)C1CC(O)(c2ccc(-c3ccccc3)cc2)CN1C(=O)OCc1ccccc1

HCID66753132

未命名化合物

PRODUCTS

生成物

结构：C=CCSC1(c2ccc(-c3ccccc3)cc2)CC(C(=O)OC)N(C(=O)OCc2ccccc2)C1

HCID67051486

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aaa9185ca32f4ee5b251567953e48c31
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

[CH2:33]([CH:34]=[CH2:35])[SH:36].[CH3:37][C:38]#[N:39].[F:40][C:41]([F:42])([F:43])[S:44]([O-:45])(=[O:46])=[O:47].[F:49][C:50]([F:51])([F:52])[S:53]([O-:54])(=[O:55])=[O:56].[F:57][C:58]([F:59])([F:60])[S:61]([O-:62])(=[O:63])=[O:64].[Sc+3:48].[c:1]1(-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:2][cH:3][c:4]([C:7]2([OH:26])[CH2:8][CH:9]([C:22](=[O:23])[O:24][CH3:25])[N:10]([C:12](=[O:13])[O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:11]2)[cH:5][cH:6]1>>[c:1]1(-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:2][cH:3][c:4]([C:7]2([S:36][CH2:33][CH:34]=[CH2:35])[CH2:8][CH:9]([C:22](=[O:23])[O:24][CH3:25])[N:10]([C:12](=[O:13])[O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:11]2)[cH:5][cH:6]1