HRID799936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

反应SMILES：CON(C)C(=O)C(CC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(C(=O)O)cc1OCc1ccccc1

HCID87967453

未命名化合物

PRODUCTS

产物

反应SMILES：CON(C)C(=O)C(CC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(C(N)=O)cc1OCc1ccccc1

HCID86588226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8355447d0d024a19a0925a0d55bb4558
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16][c:17]1[S:18]([NH:19][CH:20]([CH2:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[C:29]([N:30]([CH3:31])[O:32][CH3:33])=[O:34])(=[O:35])=[O:36].[CH3:37][N:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[CH3:55][N:56]([CH3:57])[CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[ClH:54].[NH4+:66].[O:68]1[CH2:69][CH2:70][CH2:71][CH2:72]1.[OH-:67].[OH:44][n:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:12](=[O:13])[NH2:38])[cH:15][cH:16][c:17]1[S:18]([NH:19][CH:20]([CH2:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[C:29]([N:30]([CH3:31])[O:32][CH3:33])=[O:34])(=[O:35])=[O:36]