HRID1565674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6395

Methanesulfonic acid

CH4O3S

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID2735700

N-Boc-1,3-propanediamine

C8H18N2O2

反应SMILES：CCC(O)c1nn2cccc2c(=O)n1Cc1ccccc1

HCID22180024

未命名化合物

PRODUCTS

产物

反应SMILES：CCC(NCCCNC(=O)OC(C)(C)C)c1nn2cccc2c(=O)n1Cc1ccccc1

HCID21025743

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7683b9780b4a4c9b86089066122c4ae2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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