HRID195077

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID295775

2-Methylsulfanylpyrimidine-4-carboxylic acid

C6H6N2O2S

HCID11715304

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(=O)N1CCCN1C(=O)c1ccnc(SC)n1

HCID57438084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-888a479477be43529814d8fb7643be23
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

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