HRID305899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7918

Acetic anhydride

C4H6O3

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11847131

7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde

C8H11N3O

结构：O=C(OCc1ccc([N+](=O)[O-])cc1)C1=CSC2C(Br)C(=O)N12

HCID68443335

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC(c1cn2c(n1)CN(C)CC2)C1(Br)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CSC21

HCID68492573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-141158f42d7e48b883ab67eb2ab8e138
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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