HRID200173

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

HCID2795507

4-(iodomethyl)tetrahydro-2H-pyran

C6H11IO

HCID5062348

未命名化合物

HCID59331582

未命名化合物

PRODUCTS

生成物

结构：CON(C)C(=O)C(CC1CCOCC1)c1ccc(C(=O)OC(C)(C)C)cc1

HCID59331574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e626ba849fec43ad93a6ca63407ee93d
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

[CH3:44][N:45]1[CH2:46][CH2:47][CH2:48][N:49]([CH3:50])[C:51]1=[O:52].[CH3:9][O:10][N:11]([C:12]([CH2:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:25][cH:26]1)=[O:27])[CH3:28].[CH:1]([N-:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl-:37].[I:29][CH2:30][CH:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[Li+:8].[NH4+:38].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1>>[CH3:9][O:10][N:11]([C:12]([CH:13]([c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:25][cH:26]1)[CH2:30][CH:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1)=[O:27])[CH3:28]