HRID99882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID60155267

未命名化合物

HCID178486140

未命名化合物

PRODUCTS

产物

HCID66612014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7814f8d887174abf8f9b95f6d0982f14
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].[CH3:15][O:16][c:17]1[cH:18][cH:19][c:20]([CH2:21][N:22]([c:23]2[n:24][c:25](-[c:30]3[c:31]([NH:38][c:39]4[cH:40][n:41][c:42]([O:45][CH3:46])[cH:43][cH:44]4)[n:32][cH:33][c:34]([CH:35]=[O:36])[cH:37]3)[n:26][c:27]([CH3:29])[n:28]2)[CH2:47][c:48]2[cH:49][cH:50][c:51]([O:54][CH3:55])[cH:52][cH:53]2)[cH:56][cH:57]1.[CH3:2][N:3]([S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][c:10]([Mg+:13])[cH:11][cH:12]1)[CH3:14]>>[CH3:2][N:3]([S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][c:10]([CH:35]([c:34]2[cH:33][n:32][c:31]([NH:38][c:39]3[cH:40][n:41][c:42]([O:45][CH3:46])[cH:43][cH:44]3)[c:30](-[c:25]3[n:24][c:23]([N:22]([CH2:21][c:20]4[cH:19][cH:18][c:17]([O:16][CH3:15])[cH:57][cH:56]4)[CH2:47][c:48]4[cH:49][cH:50][c:51]([O:54][CH3:55])[cH:52][cH:53]4)[n:28][c:27]([CH3:29])[n:26]3)[cH:37]2)[OH:36])[cH:11][cH:12]1)[CH3:14]