HRID1200446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc(NS(=O)(=O)c2cncc(Br)c2)ccc1CN1CCN(C(=O)OC(C)(C)C)C(C)C1

HCID178428784

未命名化合物

结构：CC1CN(Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)CC(C)N1C(=O)OC(C)(C)C

HCID178430376

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NS(=O)(=O)c2cncc(-c3ccc(F)cc3)c2)ccc1CN1CCN(C(=O)OC(C)(C)C)C(C)C1

HCID72318326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c5c11c903f44632816675dbeea99922
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[cH:13][c:14]([CH3:33])[c:15]([CH2:18][N:19]3[CH2:20][CH:21]([CH3:32])[N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]3)[cH:16][cH:17]2)[cH:5][n:6][cH:7]1.[F:34][c:35]1[cH:36][cH:37][c:38](-[c:41]2[n:42][cH:43][c:44]([S:45]([NH:46][c:47]3[cH:48][cH:49][c:50]([CH2:51][N:52]4[CH2:53][CH:54]([CH3:55])[N:56]([C:57]([O:58][C:59]([CH3:60])([CH3:61])[CH3:62])=[O:63])[CH:64]([CH3:65])[CH2:66]4)[cH:67][cH:68]3)(=[O:69])=[O:70])[cH:71][cH:72]2)[cH:39][cH:40]1>>[c:2]1(-[c:38]2[cH:37][cH:36][c:35]([F:34])[cH:40][cH:39]2)[cH:3][c:4]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[cH:13][c:14]([CH3:33])[c:15]([CH2:18][N:19]3[CH2:20][CH:21]([CH3:32])[N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]3)[cH:16][cH:17]2)[cH:5][n:6][cH:7]1