HRID169000

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID44182325

tert-Butyl 3-(aminomethyl)morpholine-4-carboxylate

C10H20N2O3

结构：O=C(c1ccc(F)c([N+](=O)[O-])c1)N(CC(F)(F)F)CC(F)(F)F

HCID58911744

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCOCC1CNc1ccc(C(=O)N(CC(F)(F)F)CC(F)(F)F)cc1[N+](=O)[O-]

HCID58874473

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95282b6dfe7349e790fab97477a5f078
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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