HRID1122227

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID498716

未命名化合物

结构：CCCC(NC1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CN2CCCC2)cn1

HCID11547386

未命名化合物

PRODUCTS

生成物

结构：CCCC(C(=O)Nc1cn(C(C)(C)CN2CCCC2)cn1)N(C)C1CCc2cc(F)cc(F)c2C1

HCID11583965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d454ce1ca5cf4625807ca672e1cb7d35
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:35]([BH3-:36])#[N:37].[CH3:1][C:2]([CH2:3][N:4]1[CH2:5][CH2:6][CH2:7][CH2:8]1)([CH3:9])[n:10]1[cH:11][n:12][c:13]([NH:15][C:16]([CH:17]([CH2:18][CH2:19][CH3:20])[NH:21][CH:22]2[CH2:23][c:24]3[c:25]([F:33])[cH:26][c:27]([F:32])[cH:28][c:29]3[CH2:30][CH2:31]2)=[O:34])[cH:14]1.[CH3:39][OH:40].[Na+:38]>>[CH3:1][C:2]([CH2:3][N:4]1[CH2:5][CH2:6][CH2:7][CH2:8]1)([CH3:9])[n:10]1[cH:11][n:12][c:13]([NH:15][C:16]([CH:17]([CH2:18][CH2:19][CH3:20])[N:21]([CH:22]2[CH2:23][c:24]3[c:25]([F:33])[cH:26][c:27]([F:32])[cH:28][c:29]3[CH2:30][CH2:31]2)[CH3:35])=[O:34])[cH:14]1