HRID97959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CS(=O)(=O)c1ccc(OC2CCN(c3ccnc4ccc(Br)cc34)CC2)cc1

HCID22031182

未命名化合物

结构：OB(O)c1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID22031737

[1-(Triphenylmethyl)-1H-pyrazol-4-yl]boronic acid

C22H19BN2O2

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(OC2CCN(c3ccnc4ccc(-c5cnn(C(c6ccccc6)(c6ccccc6)c6ccccc6)c5)cc34)CC2)cc1

HCID68815336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9fe6e26369b046178eb080ca19347ffe
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: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])[CH3:28])[cH:23][cH:24]4)[CH2:16][CH2:17]3)[cH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1.[C:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[n:48]1[n:49][cH:50][c:51]([B:53]([OH:54])[OH:55])[cH:52]1>>[c:2]1(-[c:51]2[cH:50][n:49][n:48]([C:29]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[cH:52]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])[CH3:28])[cH:23][cH:24]4)[CH2:16][CH2:17]3)[cH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1