HRID681158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=S(=O)(c1ccc(OC2CCN(c3ccnc4ccc(Br)cc34)CC2)cc1)C(F)(F)F

HCID22031728

未命名化合物

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

HCID22032227

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccc(OC2CCN(c3ccnc4ccc(-c5cn(C(c6ccccc6)(c6ccccc6)c6ccccc6)nc5C(F)(F)F)cc34)CC2)cc1)C(F)(F)F

HCID86760171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa37f4d4bbe7409a89a9fb680b32f5f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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