HRID2125581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6332

Bromoethane

C2H5Br

结构：COc1ccc(N2CCN(c3ccc(Nc4nc(-c5ccccc5)cs4)cc3)CC2)cc1

HCID15125462

未命名化合物

PRODUCTS

生成物

结构：CCN(c1ccc(N2CCN(c3ccc(OC)cc3)CC2)cc1)c1nc(-c2ccccc2)cs1

HCID15125463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef2ec982341f43f7931401154627039f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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