HRID181038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2786935

ethyl 2-hydrazinyl-2-oxoacetate

C4H8N2O3

结构：CN(c1cccc2cc(C(=O)O)[nH]c12)S(=O)(=O)c1cccs1

HCID57475951

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=O)NNC(=O)c1cc2cccc(N(C)S(=O)(=O)c3cccs3)c2[nH]1

HCID59135607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b06fcac146ff4d08b99214cc9a6aa9f1
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

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