HRID687341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

结构：CCc1ccc(-c2c(-c3ccccc3F)oc3ncnc(OC4CCCN(Cc5ccccc5)C4)c23)cc1

HCID69173929

未命名化合物

PRODUCTS

生成物

HCID283

Formic acid, ion(1-)

CHO2-

结构：CCc1ccc(-c2c(-c3ccccc3F)oc3ncnc(OC4CCC[NH2+]C4)c23)cc1

HCID178435665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c625c30df49740a1843c61ef85b6973c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([O:14][c:15]2[c:16]3[c:17]([n:18][cH:19][n:20]2)[o:21][c:22](-[c:32]2[c:33]([F:38])[cH:34][cH:35][cH:36][cH:37]2)[c:23]3-[c:24]2[cH:25][cH:26][c:27]([CH2:30][CH3:31])[cH:28][cH:29]2)[CH2:11][CH2:12][CH2:13]1.[CH2:42]([OH:43])[CH3:44].[CH3:45][OH:46].[CH:39](=[O:40])[OH:41]>>[CH:39](=[O:40])[O-:41].[NH2+:8]1[CH2:9][CH:10]([O:14][c:15]2[c:16]3[c:17]([n:18][cH:19][n:20]2)[o:21][c:22](-[c:32]2[c:33]([F:38])[cH:34][cH:35][cH:36][cH:37]2)[c:23]3-[c:24]2[cH:25][cH:26][c:27]([CH2:30][CH3:31])[cH:28][cH:29]2)[CH2:11][CH2:12][CH2:13]1