HRID165391

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10665

1H-Isoindole-1,3(2H)-dione, 2-hydroxy-

C8H5NO3

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

结构：Cc1ccc(S(=O)(=O)OCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID21936070

tert-Butyl 4-{2-[(4-methylbenzene-1-sulfonyl)oxy]ethyl}piperidine-1-carboxylate

C19H29NO5S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CCON2C(=O)c3ccccc3C2=O)CC1

HCID57642050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82ac894cc8bd429fa19569eb497caaa6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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