HRID317947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID31374

Dimethylacetamide

C4H9NO

HCID166653

Hydride

H-

HCID58380822

未命名化合物

HCID59818252

1-(Benzyloxy)-7-chloro-6-fluoroisoquinoline

C16H11ClFNO

PRODUCTS

生成物

结构：CCC(N)C1(C2CCOCC2)CCC(Oc2cc3ccnc(OCc4ccccc4)c3cc2Cl)CC1

HCID58380827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfe796fabbcf47fa93c60dc3302dafe0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:40]([N:41]([CH3:42])[CH3:43])(=[O:44])[CH3:45].[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[O:27][c:28]1[n:29][cH:30][cH:31][c:32]2[cH:33][c:34]([F:39])[c:35]([Cl:38])[cH:36][c:37]12.[H-:1].[NH2:3][CH:4]([CH2:5][CH3:6])[C:7]1([CH:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[CH2:8][CH2:9][CH:10]([OH:13])[CH2:11][CH2:12]1.[Na+:2]>>[NH2:3][CH:4]([CH2:5][CH3:6])[C:7]1([CH:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[CH2:8][CH2:9][CH:10]([O:13][c:34]2[cH:33][c:32]3[cH:31][cH:30][n:29][c:28]([O:27][CH2:20][c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[c:37]3[cH:36][c:35]2[Cl:38])[CH2:11][CH2:12]1