HRID181754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID643502

n-boc-4-hydroxypiperidine

C10H19NO3

结构：Cc1ccc(S(=O)(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID15734713

tert-Butyl 4-[(4-methylbenzene-1-sulfonyl)oxy]piperidine-1-carboxylate

C17H25NO5S

HCID59252441

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(n2nnc(-c3cnc(-c4ccccc4)nc3)n2)CC1

HCID59252463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-243956dac57c44c9b17dc0fb27a13056
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

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