HRID194489

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID20324474

5-Bromopyridine-3-sulfonyl chloride

C5H3BrClNO2S

结构：COCC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(C(=O)OC(C)(C)C)C2

HCID66779666

未命名化合物

PRODUCTS

生成物

结构：COCC12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1cncc(Br)c1)C2

HCID66779671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fc8a1d0988941bb946e6500ba62118c
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:31][c:32]1[cH:33][c:34]([S:38](=[O:39])(=[O:40])[Cl:41])[cH:35][n:36][cH:37]1.[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][C:10]2([CH2:28][O:29][CH3:30])[CH2:11][c:12]3[c:13]([n:18](-[c:21]4[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]4)[n:19][cH:20]3)[CH:14]=[C:15]2[CH2:16][CH2:17]1)([CH3:5])([CH3:6])[CH3:7]>>[N:8]1([S:38]([c:34]2[cH:33][c:32]([Br:31])[cH:37][n:36][cH:35]2)(=[O:39])=[O:40])[CH2:9][C:10]2([CH2:28][O:29][CH3:30])[CH2:11][c:12]3[c:13]([n:18](-[c:21]4[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]4)[n:19][cH:20]3)[CH:14]=[C:15]2[CH2:16][CH2:17]1