HRID106988

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-

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(=O)NC1(CCc2ccc(-c3ccc(C=O)s3)cc2)COC(C)(C)OC1

HCID57624621

未命名化合物

HCID178426146

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC1(CCc2ccc(-c3ccc(C(O)c4ccc(C)cc4)s3)cc2)COC(C)(C)OC1

HCID57624590

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-105ce90a459e4882beb48534f4a2029f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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