HRID176644

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：Cc1ccc(-c2c(OCCOc3ncc(Br)cn3)nn(C)c2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID9894949

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2c(OCCOc3ncc(Br)cn3)nn(C)c2NS(=O)(=O)c2ccc(C(C)(C)CO)cc2)cc1

HCID9873780

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28b62f52f34c42088296e328c2265e57
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:1][c:2]1[cH:3][n:4][c:5]([O:8][CH2:9][CH2:10][O:11][c:12]2[n:13][n:14]([CH3:38])[c:15]([NH:24][S:25](=[O:26])(=[O:27])[c:28]3[cH:29][cH:30][c:31]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:32][cH:33]3)[c:16]2-[c:17]2[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]2)[n:6][cH:7]1.[CH3:39][OH:40]>>[Br:1][c:2]1[cH:3][n:4][c:5]([O:8][CH2:9][CH2:10][O:11][c:12]2[n:13][n:14]([CH3:38])[c:15]([NH:24][S:25](=[O:26])(=[O:27])[c:28]3[cH:29][cH:30][c:31]([C:34]([CH3:35])([CH2:36][OH:40])[CH3:37])[cH:32][cH:33]3)[c:16]2-[c:17]2[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]2)[n:6][cH:7]1