HRID1575191

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-

HCID2737673

5-Amino-2-fluorobenzonitrile

C7H5FN2

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

HCID42635102

未命名化合物

PRODUCTS

产物

反应SMILES：N#Cc1cc(NC(=O)N2CCc3ccccc3C2c2ccc(C(F)(F)F)cc2)ccc1F

HCID72319333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-632f0670f5f04114a44bc8451042563c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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