HRID799201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID408923

未命名化合物

结构：COCCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C(=O)O)cc2c1

HCID57476204

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C(=O)NC(CSCc3ccccc3)C(=O)OC)cc2c1

HCID178496153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6ba4e2bb30049f7a5f65b9ff26042b1
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

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