HRID122456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3732841

2-(Methylsulfonyl)acetic acid

C3H6O4S

结构：CC(CN)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

HCID77596580

未命名化合物

PRODUCTS

生成物

结构：CC(CNC(=O)CS(C)(=O)=O)Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

HCID11318913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a64a16bce2be4d8ebb4c386c18480236
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][S:2](=[O:3])(=[O:4])[CH2:5][C:6](=[O:7])[OH:8].[NH2:9][CH2:10][CH:11]([O:12][c:13]1[c:14]2[c:15]([NH:23][c:24]3[cH:25][c:26]([Cl:38])[c:27]([O:30][CH2:31][c:32]4[n:33][cH:34][cH:35][cH:36][cH:37]4)[cH:28][cH:29]3)[n:16][cH:17][n:18][c:19]2[cH:20][cH:21][cH:22]1)[CH3:39]>>[CH3:1][S:2](=[O:3])(=[O:4])[CH2:5][C:6](=[O:8])[NH:9][CH2:10][CH:11]([O:12][c:13]1[c:14]2[c:15]([NH:23][c:24]3[cH:25][c:26]([Cl:38])[c:27]([O:30][CH2:31][c:32]4[n:33][cH:34][cH:35][cH:36][cH:37]4)[cH:28][cH:29]3)[n:16][cH:17][n:18][c:19]2[cH:20][cH:21][cH:22]1)[CH3:39]