HRID2136111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID67274431

未命名化合物

HCID86630931

未命名化合物

PRODUCTS

生成物

结构：COCCc1sc(S(=O)(=O)NC(=O)Nc2cc(SC)cc(NCCF)n2)cc1C

HCID42629873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e55c7939d04e40b9b8ad9f8c5be9cb11
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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