HRID180590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

结构：Cn1nnc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

HCID23073221

N-{[3,5-Bis(trifluoromethyl)phenyl]methyl}-2-methyl-2H-tetrazol-5-amine

C11H9F6N5

HCID67091099

未命名化合物

PRODUCTS

生成物

结构：COC(c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)C1CCCC1

HCID72477185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a504aec8910a4c4097dc6332e957fcd5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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