HRID87327

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CC(C)(C)NS(C)(=O)=O

HCID67051174

未命名化合物

结构：CC(C)(C)N(CCCCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CCOc1ccccc1)C(=O)[O-]

HCID178449029

未命名化合物

PRODUCTS

生成物

结构：CCOCc1nc2c[n+]([O-])c3cc(OCc4ccccc4)ccc3c2n1CC(C)(C)NS(C)(=O)=O

HCID67051025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-722e53a80ea24214884170e2837a2b18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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