HRID158430

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：CCCCC1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2C(c2cccc(NC(=O)CCCCBr)c2)C1O

HCID15922485

未命名化合物

结构：COc1ccc(C2C(CCC(O)c3ccccc3)C(=O)N2c2ccc(CN)cc2)cc1

HCID15922486

未命名化合物

PRODUCTS

生成物

结构：CCCCC1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2C(c2cccc(NC(=O)CCCCNCc3ccc(N4C(=O)C(CCC(O)c5ccccc5)C4c4ccc(OC)cc4)cc3)c2)C1O

HCID10213227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1dbd936fd3224d51940b4a99a9796c62
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

[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]1([CH2:36][CH3:37])[CH:6]([OH:35])[CH:7]([c:21]2[cH:22][c:23]([NH:27][C:28]([CH2:29][CH2:30][CH2:31][CH2:32][Br:33])=[O:34])[cH:24][cH:25][cH:26]2)[c:8]2[c:9]([cH:14][cH:15][c:16]([N:18]([CH3:19])[CH3:20])[cH:17]2)[S:10](=[O:12])(=[O:13])[CH2:11]1.[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[NH2:38][CH2:39][c:40]1[cH:41][cH:42][c:43]([N:46]2[C:47](=[O:68])[CH:48]([CH2:58][CH2:59][CH:60]([c:61]3[cH:62][cH:63][cH:64][cH:65][cH:66]3)[OH:67])[CH:49]2[c:50]2[cH:51][cH:52][c:53]([O:56][CH3:57])[cH:54][cH:55]2)[cH:44][cH:45]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]1([CH2:36][CH3:37])[CH:6]([OH:35])[CH:7]([c:21]2[cH:22][c:23]([NH:27][C:28]([CH2:29][CH2:30][CH2:31][CH2:32][NH:38][CH2:39][c:40]3[cH:41][cH:42][c:43]([N:46]4[C:47](=[O:68])[CH:48]([CH2:58][CH2:59][CH:60]([c:61]5[cH:62][cH:63][cH:64][cH:65][cH:66]5)[OH:67])[CH:49]4[c:50]4[cH:51][cH:52][c:53]([O:56][CH3:57])[cH:54][cH:55]4)[cH:44][cH:45]3)=[O:34])[cH:24][cH:25][cH:26]2)[c:8]2[c:9]([cH:14][cH:15][c:16]([N:18]([CH3:19])[CH3:20])[cH:17]2)[S:10](=[O:12])(=[O:13])[CH2:11]1