HRID91369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID68526

1-Bromo-2-phenoxyethane

C8H9BrO

HCID166653

Hydride

H-

结构：COc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)OC(C)(C)C)C4)c2n1

HCID59560627

未命名化合物

结构：COc1ccc2nccc(-n3cc4c(n3)CCC(N(CCOc3ccccc3)C(=O)OC(C)(C)C)C4)c2n1

HCID68497153

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2nccc(-n3cc4c(n3)CCC(NCCOc3ccccc3)C4)c2n1

HCID11948461

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d70625f32113446db393888dc7cdaf1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:70][CH2:71][CH2:72][O:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[C:1]([O:2][C:3](=[O:4])[N:7]([CH2:8][CH2:9][O:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[CH:17]1[CH2:18][c:19]2[cH:20][n:21](-[c:26]3[cH:27][cH:28][n:29][c:30]4[cH:31][cH:32][c:33]([O:36][CH3:37])[n:34][c:35]34)[n:22][c:23]2[CH2:24][CH2:25]1)([CH3:5])([CH3:6])[CH3:38].[C:39]([O:40][C:41](=[O:42])[NH:43][CH:44]1[CH2:45][CH2:46][c:47]2[c:48]([cH:49][n:50](-[c:51]3[c:52]4[c:53]([cH:54][cH:55][c:56]([O:57][CH3:58])[n:59]4)[n:60][cH:61][cH:62]3)[n:63]2)[CH2:64]1)([CH3:65])([CH3:66])[CH3:67].[CH3:85][CH2:86][O:87][C:88]([CH3:89])=[O:90].[H-:69].[Na+:68].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[OH2:91]>>[NH:7]([CH2:8][CH2:9][O:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[CH:17]1[CH2:18][c:19]2[cH:20][n:21](-[c:26]3[cH:27][cH:28][n:29][c:30]4[cH:31][cH:32][c:33]([O:36][CH3:37])[n:34][c:35]34)[n:22][c:23]2[CH2:24][CH2:25]1