HRID2162543

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID57475990

未命名化合物

结构：COCCOc1cc(N(C)S(=O)(=O)c2nccn2C)c2[nH]c(C(=O)O)cc2c1

HCID59135646

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc(N(C)S(=O)(=O)c2nccn2C)c2[nH]c(C(=O)NCC(SCc3ccccc3)C(OC)OC)cc2c1

HCID59135861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fdc61674ebb43b9a2542e6d6275cea4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[S:36][CH:37]([CH2:38][NH2:39])[CH:40]([O:41][CH3:42])[O:43][CH3:44].[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]([CH3:24])[cH:21][cH:22][n:23]2)[CH3:25])[cH:14]1.[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].[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:27])[NH:39][CH2:38][CH:37]([S:36][CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH:40]([O:41][CH3:42])[O:43][CH3:44])[nH:11][c:12]2[c:13]([N:15]([S:16](=[O:17])(=[O:18])[c:19]2[n:20]([CH3:24])[cH:21][cH:22][n:23]2)[CH3:25])[cH:14]1