HRID957265

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

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

结构：COC1(c2ccc(C(F)(F)F)cc2CBr)CCC(C#N)CC1

HCID58968648

未命名化合物

PRODUCTS

生成物

结构：COC1(c2ccc(C(F)(F)F)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)CCC(C#N)CC1

HCID58968630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-020af86b122c4c25acc92dbe9f1111e8
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:25][CH2:26][c:27]1[c:28]([C:37]2([O:45][CH3:46])[CH2:38][CH2:39][CH:40]([C:43]#[N:44])[CH2:41][CH2:42]2)[cH:29][cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[ClH:47].[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].[OH2:53]>>[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]([C:37]3([O:45][CH3:46])[CH2:38][CH2:39][CH:40]([C:43]#[N:44])[CH2:41][CH2:42]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]