HRID2155987

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID72879

Methanesulfonamide

CH5NO2S

HCID166653

Hydride

H-

结构：Cc1ccccc1N1CCN(c2cccc(C3Nc4ccc(C(=O)O)cc4CC3(C)C)c2)CC1

HCID58476251

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1N1CCN(c2cccc(C3Nc4ccc(C(=O)NS(C)(=O)=O)cc4CC3(C)C)c2)CC1

HCID58476250

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdaefa0332304a05a0e9b4c9d3f8b1f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:42]([n:43]1[cH:44][cH:45][n:46][cH:47]1)([n:48]1[cH:49][cH:50][n:51][cH:52]1)=[O:53].[CH3:3][S:4](=[O:5])(=[O:6])[NH2:7].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[CH3:8][C:9]1([CH3:41])[CH:10]([c:22]2[cH:23][c:24]([N:28]3[CH2:29][CH2:30][N:31]([c:34]4[c:35]([CH3:40])[cH:36][cH:37][cH:38][cH:39]4)[CH2:32][CH2:33]3)[cH:25][cH:26][cH:27]2)[NH:11][c:12]2[cH:13][cH:14][c:15]([C:19](=[O:20])[OH:21])[cH:16][c:17]2[CH2:18]1.[H-:1].[Na+:2]>>[CH3:3][S:4](=[O:5])(=[O:6])[NH:7][C:19]([c:15]1[cH:14][cH:13][c:12]2[c:17]([cH:16]1)[CH2:18][C:9]([CH3:8])([CH3:41])[CH:10]([c:22]1[cH:23][c:24]([N:28]3[CH2:29][CH2:30][N:31]([c:34]4[c:35]([CH3:40])[cH:36][cH:37][cH:38][cH:39]4)[CH2:32][CH2:33]3)[cH:25][cH:26][cH:27]1)[NH:11]2)=[O:20]