HRID122516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)O)cc2C(F)(F)F)CC1

HCID23145899

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(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncc(Br)c2)n1

HCID23145942

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f82841cac6aa4a2d8f0b9478ac1e0f4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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