HRID146669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID9590

1-Fluoro-4-nitrobenzene

C6H4FNO2

HCID81531

Diisopropylethylamine

C8H19N

结构：NCCNc1ccc(C(=O)NCc2ccc(Oc3ccccc3)s2)c(N)n1

HCID23130565

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(NCCNc2ccc([N+](=O)[O-])cc2)ccc1C(=O)NCc1ccc(Oc2ccccc2)s1

HCID23130709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fe2364d57334ba5819a392d881ef54c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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