HRID194826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID888

Magnesium cation

Mg+2

HCID962

Water

H2O

HCID1117

Sulfate

O4S-2

HCID1140

Toluene

C7H8

HCID7504

Benzylamine

C7H9N

HCID229843

未命名化合物

HCID735900

1-Boc-4-piperidone

C10H17NO3

结构：COc1ccc(-c2cn(Cc3ccccc3)c3c2CN(C(=O)OC(C)(C)C)CC3)cc1

HCID67269773

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1

HCID53317861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9957e32d90d04354a5fe1555426abe5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][c:10]2[c:11]([n:14]([CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:15][c:16]2-[c:17]2[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:32]([O:33][C:34]([N:35]1[CH2:36][CH2:37][C:38](=[O:39])[CH2:40][CH2:41]1)=[O:42])([CH3:43])([CH3:44])[CH3:45].[CH3:60][O:61][c:62]1[cH:63][cH:64][c:65]([CH:66]=[CH:67][N+:68]([O-:69])=[O:70])[cH:71][cH:72]1.[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[Mg+2:54].[NH2:46][CH2:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[O-:55][S:56]([O-:57])(=[O:58])=[O:59].[OH2:80]>>[NH:8]1[CH2:9][c:10]2[c:11]([n:14]([CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:15][c:16]2-[c:17]2[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]2)[CH2:12][CH2:13]1