HRID199525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID962

Water

H2O

HCID18959674

2,2-Dimethylmorpholine

C6H13NO

结构：CC12CC3OC3CC1CCC1C2CCC2(C)C(C(=O)CO)CCC12

HCID178420945

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CN(C2CC3(C)C(CCC4C3CCC3(C)C(C(=O)CO)CCC43)CC2O)CCO1

HCID178428173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbc89c27cb2a4aea9c1956a1371085f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:34]([OH:35])[CH2:36][OH:37].[CH3:1][C:2]1([CH3:8])[O:3][CH2:4][CH2:5][NH:6][CH2:7]1.[O:9]1[CH:10]2[CH:11]1[CH2:12][CH:13]1[CH2:14][CH2:15][CH:16]3[CH:17]4[CH2:18][CH2:19][CH:20]([C:21]([CH2:22][OH:23])=[O:24])[C:25]4([CH3:32])[CH2:26][CH2:27][CH:28]3[C:29]1([CH3:31])[CH2:30]2.[OH2:33]>>[CH3:1][C:2]1([CH3:8])[O:3][CH2:4][CH2:5][N:6]([CH:10]2[CH:11]([OH:9])[CH2:12][CH:13]3[CH2:14][CH2:15][CH:16]4[CH:17]5[CH2:18][CH2:19][CH:20]([C:21]([CH2:22][OH:23])=[O:24])[C:25]5([CH3:32])[CH2:26][CH2:27][CH:28]4[C:29]3([CH3:31])[CH2:30]2)[CH2:7]1