HRID674946

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12232

Methyl disulfide

C2H6S2

HCID23994

Zinc

HCID278492

未命名化合物

结构：CC(C)OC(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc(Br)cc2)CC1

HCID69062843

未命名化合物

PRODUCTS

生成物

结构：CSc1ccc(N2CCc3c(OC4CCN(C(=O)OC(C)C)CC4)ncnc32)cc1

HCID24899232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9eac109ea237456d99c87054895bf1f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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