HRID946376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

结构：O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1c1ccc(C(F)(F)F)cc1

HCID42635102

未命名化合物

HCID60922243

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(NC(=O)N2CCc3ccccc3C2c2ccc(C(F)(F)F)cc2)cnc1OCC(F)(F)F

HCID72319362

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad9119dc353641ba8323a645c4f6dcf5
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:56][OH:57].[F:18][C:19]([c:20]1[cH:21][cH:22][c:23]([CH:26]2[N:27]([C:36](=[O:37])[O:38][c:39]3[cH:40][cH:41][c:42]([N+:43]([O-:44])=[O:45])[cH:46][cH:47]3)[CH2:28][CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][c:35]32)[cH:24][cH:25]1)([F:48])[F:49].[H-:16].[NH2:1][c:2]1[cH:3][n:4][c:5]([O:10][CH2:11][C:12]([F:13])([F:14])[F:15])[c:6]([C:7]#[N:8])[cH:9]1.[Na+:17].[OH2:50]>>[NH:1]([c:2]1[cH:3][n:4][c:5]([O:10][CH2:11][C:12]([F:13])([F:14])[F:15])[c:6]([C:7]#[N:8])[cH:9]1)[C:36]([N:27]1[CH:26]([c:23]2[cH:22][cH:21][c:20]([C:19]([F:18])([F:48])[F:49])[cH:25][cH:24]2)[c:35]2[c:30]([cH:31][cH:32][cH:33][cH:34]2)[CH2:29][CH2:28]1)=[O:37]