查数据/反应详情

HRID212458

反应详情

EQUATION

反应方程式

HRID 212458 的结构方程式

REACTANTS

反应物

2

结构：Cc1cnc(C(=O)O)cn1

5-Methyl-2-pyrazinecarboxylic acid

C6H6N2O2

结构：CC1(C)OC(N)=NC(C)(c2cc(N)ccc2F)C1(F)F

未命名化合物

PRODUCTS

生成物

1

结构：Cc1cnc(C(=O)Nc2ccc(F)c(C3(C)N=C(N)OC(C)(C)C3(F)F)c2)cn1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d418abb481174f1a9726867ccde0c195
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:21][c:22]1[n:23][cH:24][c:25]([C:28](=[O:29])[OH:30])[n:26][cH:27]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([F:20])[c:6]([C:8]2([CH3:19])[N:9]=[C:10]([NH2:18])[O:11][C:12]([CH3:16])([CH3:17])[C:13]2([F:14])[F:15])[cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([F:20])[c:6]([C:8]2([CH3:19])[N:9]=[C:10]([NH2:18])[O:11][C:12]([CH3:16])([CH3:17])[C:13]2([F:14])[F:15])[cH:7]1)[C:28]([c:25]1[cH:24][n:23][c:22]([CH3:21])[cH:27][n:26]1)=[O:29]

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