HRID317137

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID888

Magnesium cation

Mg+2

HCID962

Water

H2O

6 次

HCID6344

Dichloromethane

CH2Cl2

HCID71440607

未命名化合物

结构：CC(NC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3ccncc3)cc2)CC1)c1ccc(F)cc1

HCID76743565

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3cc[n+]([O-])cc3)cc2)CC1)c1ccc(F)cc1

HCID77243549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3efa994465b944d39cdf50c5789fcb48
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:7]([O:8][O-:9])(=[O:10])[c:12]1[c:13]([C:18](=[O:11])[O-:19])[cH:14][cH:15][cH:16][cH:17]1.[CH3:55][OH:56].[Cl:57][CH2:58][Cl:59].[F:21][c:22]1[cH:23][cH:24][c:25]([CH:28]([CH3:29])[NH:30][C:31](=[O:32])[CH:33]2[CH2:34][CH2:35][CH:36]([NH:39][S:40](=[O:41])(=[O:42])[c:43]3[cH:44][cH:45][c:46](-[c:49]4[cH:50][cH:51][n:52][cH:53][cH:54]4)[cH:47][cH:48]3)[CH2:37][CH2:38]2)[cH:26][cH:27]1.[Mg+2:20].[OH2:1].[OH2:2].[OH2:3].[OH2:4].[OH2:5].[OH2:6]>>[O-:11][n+:52]1[cH:51][cH:50][c:49](-[c:46]2[cH:45][cH:44][c:43]([S:40]([NH:39][CH:36]3[CH2:35][CH2:34][CH:33]([C:31]([NH:30][CH:28]([c:25]4[cH:24][cH:23][c:22]([F:21])[cH:27][cH:26]4)[CH3:29])=[O:32])[CH2:38][CH2:37]3)(=[O:41])=[O:42])[cH:48][cH:47]2)[cH:54][cH:53]1