HRID2134877

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cccc(C)c1NC(=O)CN1CCN(CC(O)COc2ccc3oc(-c4cccc(C(F)(F)F)c4)nc3c2)CC1

HCID10099786

未命名化合物

HCID22184711

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C)c1NC(=O)CN1CCN(CC(O)COc2ccc3oc(-c4ccccc4)nc3c2)CC1

HCID10164690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6540c3092f44b5ab606162926ee823f
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][c:2]1[c:3]([NH:9][C:10]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH2:18][CH:19]([CH2:20][O:21][c:22]3[cH:23][cH:24][c:25]4[c:26]([n:27][c:28](-[c:30]5[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]5)[o:29]4)[cH:40]3)[OH:41])[CH2:16][CH2:17]2)=[O:42])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[O:43]1[CH2:44][CH:45]1[CH2:46][O:47][c:48]1[cH:49][cH:50][c:51]2[o:52][c:53](-[c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[n:60][c:61]2[cH:62]1>>[CH3:1][c:2]1[c:3]([NH:9][C:10]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH2:18][CH:19]([CH2:20][O:21][c:22]3[cH:23][cH:24][c:25]4[c:26]([n:27][c:28](-[c:30]5[cH:31][cH:32][cH:33][cH:34][cH:35]5)[o:29]4)[cH:40]3)[OH:41])[CH2:16][CH2:17]2)=[O:42])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1