HRID2135769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID630970

1-Iodo-3,5-bis(trifluoromethyl)benzene

C8H3F6I

HCID14578675

Benzyl (2-methyl-1-oxopropan-2-yl)carbamate

C12H15NO3

HCID178461628

未命名化合物

PRODUCTS

生成物

结构：CC(C)(NC(=O)OCc1ccccc1)C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID53363830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a240e6f8a0f4e669401cc5142f03ebf
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

[Br-:1].[CH2:2]([Mg+:3])[CH3:4].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:20][C:21]([CH:22]=[O:23])([CH3:24])[NH:25][C:26]([O:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)=[O:35].[Cl-:36].[I:5][c:6]1[cH:7][c:8]([C:16]([F:17])([F:18])[F:19])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1.[NH4+:37].[OH2:43]>>[c:6]1([CH:22]([C:21]([CH3:20])([CH3:24])[NH:25][C:26]([O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)=[O:35])[OH:23])[cH:7][c:8]([C:16]([F:17])([F:18])[F:19])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1