HRID210335

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID20324474

5-Bromopyridine-3-sulfonyl chloride

C5H3BrClNO2S

结构：Cc1cc(N)ccc1CN1CCN(C(=O)OC(C)(C)C)C(C)C1

HCID178428489

未命名化合物

结构：CC1CN(Cc2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2)CCN1C(=O)OC(C)(C)C

HCID178430378

未命名化合物

PRODUCTS

生成物

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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd587a9e6b7e4559b840199e42caf7ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:24][c:25]1[cH:26][n:27][cH:28][c:29]([S:31](=[O:32])(=[O:33])[Cl:34])[cH:30]1.[Cl:35][c:36]1[n:37][cH:38][c:39]([S:40]([NH:41][c:42]2[cH:43][cH:44][c:45]([CH2:46][N:47]3[CH2:48][CH2:49][N:50]([C:51]([O:52][C:53]([CH3:54])([CH3:55])[CH3:56])=[O:57])[CH:58]([CH3:59])[CH2:60]3)[cH:61][cH:62]2)(=[O:63])=[O:64])[cH:65][cH:66]1.[NH2:1][c:2]1[cH:3][c:4]([CH3:23])[c:5]([CH2:8][N:9]2[CH2:10][CH:11]([CH3:22])[N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4]([CH3:23])[c:5]([CH2:8][N:9]2[CH2:10][CH:11]([CH3:22])[N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[cH:6][cH:7]1)[S:31]([c:29]1[cH:28][n:27][cH:26][c:25]([Br:24])[cH:30]1)(=[O:32])=[O:33]