HRID2330703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8472

Trimethyl phosphite

C3H9O3P

HCID8857

Ethyl acetate

C4H8O2

结构：COc1ccc(CN2C(=O)OC(CN=[N+]=[N-])(C(F)(F)F)c3cc(Br)ccc32)cc1

HCID44549802

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2C(=O)OC(CN)(C(F)(F)F)c3cc(Br)ccc32)cc1

HCID44549803

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8528493cf10849c5a7b87fcba0d48350
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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