HRID143488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8012

1-Butanethiol

C4H10S

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：CCCCSC1(c2ccc(-c3ccccc3)cc2)CC(C(=O)OC)N(C(=O)OCc2ccccc2)C1

HCID67030943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9b93277da804b59b230c51224920873
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

[CH2:33]([CH2:34][CH2:35][CH3:36])[SH:37].[CH3:38][C:39]#[N:40].[F:41][C:42]([F:43])([F:44])[S:45]([O-:46])(=[O:47])=[O:48].[F:50][C:51]([F:52])([F:53])[S:54]([O-:55])(=[O:56])=[O:57].[F:58][C:59]([F:60])([F:61])[S:62]([O-:63])(=[O:64])=[O:65].[Sc+3:49].[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:37][CH2:33][CH2:34][CH2:35][CH3:36])[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