HRID1553886

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID25114918

未命名化合物

结构：CC1(C)OB(c2cccc3c2CC(N(Cc2ccccc2)Cc2ccccc2)CO3)OC1(C)C

HCID66813495

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cc(-c2cccc3c2CC(N(Cc2ccccc2)Cc2ccccc2)CO3)cnc1OC

HCID178485267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aaa2d76d847749e482fe92dbde7585de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:35][c:36]1[cH:37][n:38][c:39]([O:46][CH3:47])[c:40]([C:41](=[O:42])[NH:43][CH3:44])[cH:45]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]1[CH2:10][O:11][c:12]2[cH:13][cH:14][cH:15][c:16]([B:19]3[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]3)[c:17]2[CH2:18]1)[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:48][S:49]([CH3:50])=[O:51]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]1[CH2:10][O:11][c:12]2[cH:13][cH:14][cH:15][c:16](-[c:36]3[cH:37][n:38][c:39]([O:46][CH3:47])[c:40]([C:41](=[O:42])[NH:43][CH3:44])[cH:45]3)[c:17]2[CH2:18]1)[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1