HRID1145064

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：OB(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc1C(F)(F)F

HCID22032227

未命名化合物

结构：O=C(Nc1ccc(F)cc1)C1CCN(c2ccnc3ccc(Br)cc23)CC1

HCID23537265

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(F)cc1)C1CCN(c2ccnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4C(F)(F)F)cc23)CC1

HCID86760170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ce18bf61d574755b58118e083d88874
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

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