HRID1151043

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-

4 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID114853

Cerium(3+)

Ce+3

结构：COc1ccccc1CC(=O)N1CC2C(=O)C=CC(C)(C)C2C1

HCID67714019

未命名化合物

HCID178489559

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1CC(=O)N1CC2C(C1)C(O)(c1ccccc1OC)C=CC2(C)C

HCID67714466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb1cf686460441da944fa290366b283c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br-:1].[CH3:11][C:12]1([CH3:33])[CH:13]=[CH:14][C:15](=[O:32])[CH:16]2[CH2:17][N:18]([C:21]([CH2:22][c:23]3[c:24]([O:29][CH3:30])[cH:25][cH:26][cH:27][cH:28]3)=[O:31])[CH2:19][CH:20]12.[CH3:2][O:3][c:4]1[c:5]([Mg+:10])[cH:6][cH:7][cH:8][cH:9]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Ce+3:35].[Cl-:34].[Cl-:36].[Cl-:37].[Cl-:38].[NH4+:39].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[CH3:2][O:3][c:4]1[c:5]([C:15]2([OH:32])[CH:14]=[CH:13][C:12]([CH3:11])([CH3:33])[CH:20]3[CH:16]2[CH2:17][N:18]([C:21]([CH2:22][c:23]2[c:24]([O:29][CH3:30])[cH:25][cH:26][cH:27][cH:28]2)=[O:31])[CH2:19]3)[cH:6][cH:7][cH:8][cH:9]1