HRID2327824

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

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

HCID57475951

未命名化合物

HCID57475990

未命名化合物

PRODUCTS

生成物

结构：COC(OC)C(CNC(=O)c1cc2cccc(N(C)S(=O)(=O)c3cccs3)c2[nH]1)SCc1ccccc1

HCID59136064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb6cd5e642934215a559fa0785fe74e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:45]([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[S:52][CH:53]([CH2:54][NH2:55])[CH:56]([O:57][CH3:58])[O:59][CH3:60].[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].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[ClH:33].[OH2:66].[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:55][CH2:54][CH:53]([S:52][CH2:45][c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[CH:56]([O:57][CH3:58])[O:59][CH3:60])[nH:10][c:11]12)[S:15](=[O:16])(=[O:17])[c:18]1[s:19][cH:20][cH:21][cH:22]1