HRID2158460

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

结构：COC(=O)C(N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID433582

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(CSC(c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)OC)cc2c1

HCID178496152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f5f34d7725d452b9886df78fa8dfae3
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

[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][C:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)=[O:56].[CH3:68][N:69]([CH3:70])[CH2:71][CH2:72][CH2:73][N:74]=[C:75]=[N:76][CH2:77][CH3:78].[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[CH3:84][CH2:85][N:86]([CH2:87][CH3:88])[CH2:89][CH3:90].[ClH:29].[ClH:67].[n:57]1([OH:58])[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]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:56])[CH2:35][S:36][C:37]([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]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