HRID1222333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(=O)Nc1cc(Oc2ccc3c(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)cncc3c2)ncn1

HCID25157905

未命名化合物

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

PRODUCTS

生成物

结构：CN1CCN(Cc2ccc(NC(=O)c3cncc4cc(Oc5cc(N)ncn5)ccc34)cc2C(F)(F)F)CC1

HCID59862517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39d5f776cb1845d4a347fb69a0fcfcc2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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