HRID200279

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8028

Tetrahydrofuran

C4H8O

HCID24841

Hydrogen iodide

HCID137202

2H-Pyran, 4-chlorotetrahydro-

C5H9ClO

HCID5462224

Magnesium

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

HCID178477777

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)C2CCOCC2)n1

HCID58968611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-528aebd4e2cf44af904a55f6c538f08d
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-:10].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:11][Mg+:12].[CH3:48][Si:49]([Cl:50])([CH3:51])[CH3:52].[Cl:3][CH:4]1[CH2:5][CH2:6][O:7][CH2:8][CH2:9]1.[F:13][C:14]([c:15]1[cH:16][c:17]([CH2:18][N:19]([c:20]2[n:21][n:22][n:23]([CH3:25])[n:24]2)[CH2:26][c:27]2[c:28]([CH:29]=[O:30])[cH:31][cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]2)[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1)([F:46])[F:47].[I:2].[Mg:1]>>[CH:4]1([CH:29]([c:28]2[c:27]([CH2:26][N:19]([CH2:18][c:17]3[cH:16][c:15]([C:14]([F:13])([F:46])[F:47])[cH:41][c:40]([C:42]([F:43])([F:44])[F:45])[cH:39]3)[c:20]3[n:21][n:22][n:23]([CH3:25])[n:24]3)[cH:34][c:33]([C:35]([F:36])([F:37])[F:38])[cH:32][cH:31]2)[OH:30])[CH2:5][CH2:6][O:7][CH2:8][CH2:9]1