HRID674555

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID787

Hydroxylamine

H3NO

HCID962

Water

H2O

结构：CCOc1cc(CN(c2ccc(C#N)cc2)c2nc(Br)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c(OC(C)C)c1

HCID68812817

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(CN(c2ccc(C(N)=NO)cc2)c2nc(Br)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c(OC(C)C)c1

HCID86607935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c62ca471a1fe41fd91e1ecc226d070d2
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[n:3][c:4]([N:26]([c:27]2[cH:28][cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34]2)[CH2:35][c:36]2[c:37]([F:49])[c:38]([O:45][CH:46]([CH3:47])[CH3:48])[cH:39][c:40]([O:42][CH2:43][CH3:44])[cH:41]2)[n:5]([C:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:6]1.[CH3:53][S:54]([CH3:55])=[O:56].[NH2:51][OH:52].[OH2:50]>>[Br:1][c:2]1[n:3][c:4]([N:26]([c:27]2[cH:28][cH:29][c:30]([C:31](=[N:32][OH:50])[NH2:51])[cH:33][cH:34]2)[CH2:35][c:36]2[c:37]([F:49])[c:38]([O:45][CH:46]([CH3:47])[CH3:48])[cH:39][c:40]([O:42][CH2:43][CH3:44])[cH:41]2)[n:5]([C:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:6]1