HRID835659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID4113

Methoxyamine

CH5NO

HCID6342

Acetonitrile

C2H3N

2 次

HCID6422

未命名化合物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID70320

2-Bromomethylnaphthalene

C11H9Br

结构：S=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc2ncccc2c1

HCID58875330

未命名化合物

PRODUCTS

生成物

结构：CON=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc2ncccc2c1

HCID178502871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8ecfaf216fc4a059dabc218e349e3b1
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:29][CH2:30][c:31]1[cH:32][cH:33][c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[cH:40]1.[C:48](#[N:49])[CH3:50].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][NH:14][C:15](=[S:16])[c:17]2[cH:18][c:19]3[cH:20][cH:21][cH:22][n:23][c:24]3[cH:25][cH:26]2)[cH:27][cH:28]1.[CH3:58][N:59]1[CH2:60][CH2:61][CH2:62][C:63]1=[O:64].[CH3:65][C:66]#[N:67].[ClH:41].[Na+:46].[O:42]([CH3:43])[NH2:44].[OH-:45].[OH2:47].[OH:51][C:52]([C:53]([F:54])([F:55])[F:56])=[O:57]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][NH:14][C:15]([c:17]2[cH:18][c:19]3[cH:20][cH:21][cH:22][n:23][c:24]3[cH:25][cH:26]2)=[N:44][O:42][CH3:43])[cH:27][cH:28]1