HRID298184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID31275

1,4-Dioxane

C4H8O2

HCID31404

Butylated hydroxytoluene

C15H24O

HCID61163

4-(2-Hydroxyethyl)morpholine

C6H13NO2

HCID166653

Hydride

H-

结构：COc1ccc(C2COCCO2)c2sc(NC(=O)c3ccnc(Br)c3)nc12

HCID22507693

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2COCCO2)c2sc(NC(=O)c3ccnc(OCCN4CCOCC4)c3)nc12

HCID11466172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b9975ff0f0e431b9543da4c0075d1a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:28][c:29]1[cH:30][c:31]([C:32](=[O:33])[NH:34][c:35]2[s:36][c:37]3[c:38]([n:39]2)[c:40]([O:50][CH3:51])[cH:41][cH:42][c:43]3[CH:44]2[O:45][CH2:46][CH2:47][O:48][CH2:49]2)[cH:52][cH:53][n:54]1.[C:10]([c:11]1[c:12]([OH:13])[c:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][c:20]([CH3:21])[cH:22]1)([CH3:23])([CH3:24])[CH3:25].[H-:26].[Na+:27].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][O:7][CH2:8][CH2:9]1>>[O:1]([CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][O:7][CH2:8][CH2:9]1)[c:29]1[cH:30][c:31]([C:32](=[O:33])[NH:34][c:35]2[s:36][c:37]3[c:38]([n:39]2)[c:40]([O:50][CH3:51])[cH:41][cH:42][c:43]3[CH:44]2[O:45][CH2:46][CH2:47][O:48][CH2:49]2)[cH:52][cH:53][n:54]1