HRID1573893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8028

Tetrahydrofuran

C4H8O

结构：Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2C=O)n1

HCID58966524

未命名化合物

HCID178507034

未命名化合物

PRODUCTS

生成物

结构：Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2C(O)C2CCCCC2)n1

HCID58968665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f26a061651a4558a4643240bf4a5c08
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-:36].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH:37]1([Mg+:43])[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[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)[CH2:14][c:15]2[c:16]([CH:17]=[O:18])[cH:19][cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35]>>[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)[CH2:14][c:15]2[c:16]([CH:17]([OH:18])[CH:37]3[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]3)[cH:19][cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35]