HRID1555512

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

结构：CC1=C(O)C(=O)N(c2ccc3nc[nH]c3c2)C1c1ccc(C2CCC(N3CCOCC3)CC2)cc1

HCID67387227

未命名化合物

PRODUCTS

生成物

结构：COC1=C(C)C(c2ccc(C3CCC(N4CCOCC4)CC3)cc2)N(c2ccc3nc[nH]c3c2)C1=O

HCID53380361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8cd4194e5f49436ab297ba1b9802084c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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