HRID2331933

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

HCID57475982

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)NCC(C)(SCc3ccccc3)C(OC)OC)cc2c1

HCID59135804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b2ff5c260d444a0b27a0f28523e5b6e
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

[CH2:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[S:46][C:47]([CH2:48][NH2:49])([CH:50]([O:51][CH3:52])[O:53][CH3:54])[CH3:55].[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.[CH3:57][N:58]([CH3:59])[CH2:60][CH2:61][CH2:62][N:63]=[C:64]=[N:65][CH2:66][CH3:67].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[ClH:56].[n:29]1([OH:30])[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]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:49][CH2:48][C:47]([S:46][CH2:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)([CH:50]([O:51][CH3:52])[O:53][CH3:54])[CH3:55])[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