HRID1574509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID2756249

未命名化合物

HCID4574913

未命名化合物

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

PRODUCTS

生成物

结构：Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2Br)n1

HCID58966468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee7ac168f8c74527bfcb45ba69fc8cec
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

[Br:29][c:30]1[c:31]([CH2:40][Br:41])[cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]1.[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:23][C:24]([CH3:25])([O-:26])[CH3:27].[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].[K+:28]>>[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)[CH2:40][c:31]2[c:30]([Br:29])[cH:35][cH:34][c:33]([C:36]([F:37])([F:38])[F:39])[cH:32]2)[cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]1)([F:21])[F:22]