HRID2327233

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7918

Acetic anhydride

C4H6O3

结构：CC(=O)N1C=C(c2ccccc2)N(CC(=O)NC(Cc2ccccc2)C(O)C(=O)OC(C)C)C(=O)C1C(C)C

HCID21302836

未命名化合物

PRODUCTS

生成物

HCID21302837

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-082312efc46e45fd80a637fb6d968d1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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