HRID678667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19081094

tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate

C10H20N2O3

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)O)cc3)oc12

HCID57369945

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CN(C(=O)OC(C)(C)C)CCO4)cc3)oc12

HCID59586039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e770b2ba007a4bf38f4c2ee9d793407c
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

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