HRID1208277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID8028

Tetrahydrofuran

C4H8O

结构：CCC(O)(c1ccc2c3c(ccc2c1)C(=O)N(C)C3)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID12074109

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(c1ccc2c3c(ccc2c1)C(=O)N(C)C3)c1c[nH]cn1

HCID178458159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96c2842edde04bc2a475124cc38ff180
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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