HRID1137745

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1

HCID10053560

未命名化合物

HCID23145966

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncc(Br)c2)n1

HCID10326791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d38459aaa2c941fbb33d553e108ccb3f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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