HRID167043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6422

未命名化合物

HCID498716

未命名化合物

结构：FC(F)(F)c1cc(COCC2(c3ccccc3)CCCNCC2)cc(C(F)(F)F)c1

HCID11626160

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1

HCID21973119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-047bfe63d5a74936bf1addd3c9799f93
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:35]([BH3-:36])#[N:37].[CH3:31][C:32]([CH3:33])=[O:34].[CH3:46][OH:47].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][O:7][CH2:8][C:9]2([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:10][CH2:11][NH:12][CH2:13][CH2:14][CH2:15]2)[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)([F:29])[F:30].[Na+:38].[OH:39][C:40]([C:41]([F:42])([F:43])[F:44])=[O:45]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][O:7][CH2:8][C:9]2([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:10][CH2:11][N:12]([CH:32]([CH3:31])[CH3:33])[CH2:13][CH2:14][CH2:15]2)[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)([F:29])[F:30]