HRID205019

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(=O)Nc1cc(Oc2ccc3c(C(=O)Nc4ccc(CN5CCNCC5)c(C(F)(F)F)c4)cccc3c2)ncn1

HCID67405669

未命名化合物

结构：CC(=O)Nc1cc(Oc2ccc3c(C(=O)Nc4ccc(CN5CCN(C(C)C)CC5)c(C(F)(F)F)c4)cccc3c2)ncn1

HCID67405731

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCN(Cc2ccc(NC(=O)c3cccc4cc(Oc5cc(N)ncn5)ccc34)cc2C(F)(F)F)CC1

HCID67407319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51bf2e9f6986404f85c898e586b13539
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([CH2:10][c:11]2[c:12]([C:41]([F:42])([F:43])[F:44])[cH:13][c:14]([NH:17][C:18](=[O:19])[c:20]3[cH:21][cH:22][cH:23][c:24]4[cH:25][c:26]([O:30][c:31]5[n:32][cH:33][n:34][c:35]([NH:37][C:38](=[O:39])[CH3:40])[cH:36]5)[cH:27][cH:28][c:29]34)[cH:15][cH:16]2)[CH2:8][CH2:9]1.[N:45]1([CH2:46][c:47]2[cH:48][cH:49][c:50]([NH:51][C:52]([c:53]3[c:54]4[c:55]([cH:56][c:57]([O:58][c:59]5[cH:60][c:61]([NH:62][C:63](=[O:64])[CH3:65])[n:66][cH:67][n:68]5)[cH:69][cH:70]4)[cH:71][cH:72][cH:73]3)=[O:74])[cH:75][c:76]2[C:77]([F:78])([F:79])[F:80])[CH2:81][CH2:82][NH:83][CH2:84][CH2:85]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([CH2:10][c:11]2[c:12]([C:41]([F:42])([F:43])[F:44])[cH:13][c:14]([NH:17][C:18](=[O:19])[c:20]3[cH:21][cH:22][cH:23][c:24]4[cH:25][c:26]([O:30][c:31]5[n:32][cH:33][n:34][c:35]([NH2:37])[cH:36]5)[cH:27][cH:28][c:29]34)[cH:15][cH:16]2)[CH2:8][CH2:9]1