HRID155972

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

HCID8857

Ethyl acetate

C4H8O2

HCID14232

N-Methoxymethylamine

C2H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COc1ccccc1S(=O)(=O)N(C)c1cccc2cc(C3=NCC(CC(=O)O)S3)[nH]c12

HCID59135901

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1S(=O)(=O)N(C)c1cccc2cc(C3=NCC(CC(=O)N(C)OC)S3)[nH]c12

HCID59135986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-758434fc369c4db4b6b14ce39183e07c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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