HRID690716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID3401849

Propane-1-sulfonamide

C3H9NO2S

结构：CC(C)(C)OC(=O)N(CCCc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1)CC(O)c1ccccc1

HCID178453359

未命名化合物

PRODUCTS

生成物

结构：CCCS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCCN(CC(O)c3ccccc3)C(=O)OC(C)(C)C)cc2)cc1OC1CCCCC1

HCID178461086

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5630f0dabe84df28e9f5e4f228ed4df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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