HRID1540409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6367

Acetyl chloride

C2H3ClO

HCID8471

Triethylamine

C6H15N

结构：NCc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2

HCID22038035

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2

HCID10000786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-535e3b3e3021459b87cc8e994d050830
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

[CH3:1][C:2]([Cl:3])=[O:4].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:40][C:41]#[N:42].[F:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][CH:15]([N:18]3[CH2:19][CH2:20][c:21]4[cH:22][cH:23][c:24]([CH2:27][NH2:28])[cH:25][c:26]43)[CH2:16][CH2:17]2)[cH:29][cH:30]1.[Na+:39].[OH-:38].[OH2:43]>>[CH3:1][C:2](=[O:4])[NH:28][CH2:27][c:24]1[cH:23][cH:22][c:21]2[c:26]([cH:25]1)[N:18]([CH:15]1[CH2:14][CH2:13][N:12]([CH2:11][CH2:10][c:9]3[cH:8][cH:7][c:6]([F:5])[cH:30][cH:29]3)[CH2:17][CH2:16]1)[CH2:19][CH2:20]2