HRID1128796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：COC(=O)N(Cc1cc(I)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC

HCID86615395

未命名化合物

HCID178418546

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N(Cc1cc(C#N)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC

HCID11664112

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f112d29dd884fa2b939b3adf19de54e
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

[CH3:1][O:2][C:3]([N:4]([CH2:5][c:6]1[c:7](-[c:16]2[c:17]([O:25][CH3:26])[cH:18][cH:19][c:20]([CH:22]([CH3:23])[CH3:24])[cH:21]2)[cH:8][cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1)[CH2:27][c:28]1[cH:29][c:30]([I:38])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)=[O:39].[Cu:40][C:41]#[N:42].[NH3:43].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[CH3:1][O:2][C:3]([N:4]([CH2:5][c:6]1[c:7](-[c:16]2[c:17]([O:25][CH3:26])[cH:18][cH:19][c:20]([CH:22]([CH3:23])[CH3:24])[cH:21]2)[cH:8][cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1)[CH2:27][c:28]1[cH:29][c:30]([C:41]#[N:42])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)=[O:39]