HRID2130742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(NC(=O)C(O)C(CCCCNC(=O)N1CCOCC1)NC(=O)OCC1(Cc2ccccc2)CCCCC1)c1ccccc1

HCID178465237

未命名化合物

结构：CNC(=O)NCCCCC(NC(=O)OCC1(Cc2c(F)cccc2F)CCC1)C(O)C(=O)NC(C)c1ccccc1

HCID178485920

未命名化合物

PRODUCTS

生成物

HCID178485919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b15ea911793d440cb1df1a3b20d4ade1
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

[CH2:42]([C:43]1([CH2:44][O:45][C:46](=[O:47])[NH:48][CH:49]([CH:50]([OH:51])[C:52](=[O:53])[NH:54][CH:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[CH3:62])[CH2:63][CH2:64][CH2:65][CH2:66][NH:67][C:68]([N:69]2[CH2:70][CH2:71][O:72][CH2:73][CH2:74]2)=[O:75])[CH2:76][CH2:77][CH2:78][CH2:79][CH2:80]1)[c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[F:1][c:2]1[c:3]([CH2:4][C:5]2([CH2:9][O:10][C:11]([NH:12][CH:13]([CH2:14][CH2:15][CH2:16][CH2:17][NH:18][C:19](=[O:20])[NH:21][CH3:22])[CH:23]([C:24]([NH:25][CH:26]([CH3:27])[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)=[O:34])[OH:35])=[O:36])[CH2:6][CH2:7][CH2:8]2)[c:37]([F:41])[cH:38][cH:39][cH:40]1>>[F:1][c:2]1[c:3]([CH2:4][C:5]2([CH2:9][O:10][C:11]([NH:12][CH:13]([CH2:14][CH2:15][CH2:16][CH2:17][NH:18][C:19](=[O:20])[NH:21][CH3:22])[C:23]([C:24]([NH:25][CH:26]([CH3:27])[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)=[O:34])=[O:35])=[O:36])[CH2:6][CH2:7][CH2:8]2)[c:37]([F:41])[cH:38][cH:39][cH:40]1