HRID1151525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID235527

4-Amino-N,N-dimethylbenzamide

C9H12N2O

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：CN(C)C(=O)c1ccc(NC(=O)N2CCc3ccccc3C2c2ccc(C(F)(F)F)cc2)cc1

HCID72319363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4eb8a7387e5243d1af4b132da530767b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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