HRID156551

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6331

Borane

H3B

HCID7975

2-Methylpyridine

C6H7N

结构：COC(=O)OCCOc1cc(OC)cc(C(=Nc2ccc(C#N)cc2)c2nn(-c3ncccn3)c(=O)[nH]2)c1F

HCID136334031

未命名化合物

PRODUCTS

生成物

HCID136334032

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6eee795c570741beabcce4eb3f6583d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[BH3:40].[CH3:1][O:2][C:3]([O:4][CH2:5][CH2:6][O:7][c:8]1[c:9]([F:38])[c:10]([C:16]([c:17]2[n:18][n:19](-[c:23]3[n:24][cH:25][cH:26][cH:27][n:28]3)[c:20](=[O:22])[nH:21]2)=[N:29][c:30]2[cH:31][cH:32][c:33]([C:36]#[N:37])[cH:34][cH:35]2)[cH:11][c:12]([O:14][CH3:15])[cH:13]1)=[O:39].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][n:47]1.[CH3:48][OH:49].[CH3:51][C:52](=[O:53])[OH:54].[OH2:50]>>[CH3:1][O:2][C:3]([O:4][CH2:5][CH2:6][O:7][c:8]1[c:9]([F:38])[c:10]([CH:16]([c:17]2[n:18][n:19](-[c:23]3[n:24][cH:25][cH:26][cH:27][n:28]3)[c:20](=[O:22])[nH:21]2)[NH:29][c:30]2[cH:31][cH:32][c:33]([C:36]#[N:37])[cH:34][cH:35]2)[cH:11][c:12]([O:14][CH3:15])[cH:13]1)=[O:39]