HRID942243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID7918

Acetic anhydride

C4H6O3

HCID8857

Ethyl acetate

C4H8O2

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

PRODUCTS

生成物

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

HCID86760938

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65b4ead97d744bed808a9993211073ec
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

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][OH:33])[NH2:34])[cH:35][cH:36]2)[CH2:37][c:38]2[c:39]([F:51])[c:40]([O:47][CH:48]([CH3:49])[CH3:50])[cH:41][c:42]([O:44][CH2:45][CH3:46])[cH:43]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.[CH3:52][C:53](=[O:54])[O:55][C:56]([CH3:57])=[O:58].[CH3:59][OH:60].[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66]>>[Br:1][c:2]1[n:3][c:4]([N:26]([c:27]2[cH:28][cH:29][c:30]([C:31](=[N:32][O:33][C:53]([CH3:52])=[O:54])[NH2:34])[cH:35][cH:36]2)[CH2:37][c:38]2[c:39]([F:51])[c:40]([O:47][CH:48]([CH3:49])[CH3:50])[cH:41][c:42]([O:44][CH2:45][CH3:46])[cH:43]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