HRID2318412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC(C)Oc1ccc(C(CC(=O)O)N2C(=O)c3ccccc3C2=O)cc1OC(C)C

HCID18780709

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(C(CC(N)=O)N2C(=O)c3ccccc3C2=O)cc1OC(C)C

HCID18780708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5fd40a552164299926893b70a24d822
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]1(=[O:30])[c:2]2[c:3]([cH:26][cH:27][cH:28][cH:29]2)[C:4](=[O:25])[N:5]1[CH:6]([CH2:7][C:8](=[O:9])[OH:10])[c:11]1[cH:12][c:13]([O:21][CH:22]([CH3:23])[CH3:24])[c:14]([O:17][CH:18]([CH3:19])[CH3:20])[cH:15][cH:16]1.[CH3:34][N:35]([CH3:36])[c:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1.[NH4+:31].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:32].[OH2:33]>>[C:1]1(=[O:30])[c:2]2[c:3]([cH:26][cH:27][cH:28][cH:29]2)[C:4](=[O:25])[N:5]1[CH:6]([CH2:7][C:8](=[O:9])[NH2:31])[c:11]1[cH:12][c:13]([O:21][CH:22]([CH3:23])[CH3:24])[c:14]([O:17][CH:18]([CH3:19])[CH3:20])[cH:15][cH:16]1