HRID196216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID5360545

未命名化合物

PRODUCTS

生成物

结构：O=S1(=O)c2cccc3cncc(c23)N1CCCN1CC=C(c2ccccc2)CC1

HCID67922357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f39ef19731c4d748091f510155a0517
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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