HRID675721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID260

Hydrogen Bromide

BrH

HCID962

Water

H2O

HCID75454

4-tert-Butylbenzenethiol

C10H14S

结构：COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(S)c1CC(C)C

HCID9974711

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(SSc2ccc(C(C)(C)C)cc2)c1CC(C)C

HCID22668800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a51681e45827492481783b57286d705a
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

[Br:34].[C:23]([CH3:24])([CH3:25])([CH3:26])[c:27]1[cH:28][cH:29][c:30]([SH:33])[cH:31][cH:32]1.[CH3:36][C:37](=[O:38])[OH:39].[F:1][CH:2]([c:3]1[n:4][c:5]([C:18]([F:19])([F:20])[F:21])[c:6]([SH:17])[c:7]([CH2:13][CH:14]([CH3:15])[CH3:16])[c:8]1[C:9](=[O:10])[O:11][CH3:12])[F:22].[OH2:35]>>[F:1][CH:2]([c:3]1[n:4][c:5]([C:18]([F:19])([F:20])[F:21])[c:6]([S:17][S:33][c:30]2[cH:29][cH:28][c:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:32][cH:31]2)[c:7]([CH2:13][CH:14]([CH3:15])[CH3:16])[c:8]1[C:9](=[O:10])[O:11][CH3:12])[F:22]