HRID1566373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID11807

2-Amino-2-methylpropan-1-ol

C4H11NO

HCID24386

Thionyl chloride

Cl2OS

HCID166653

Hydride

H-

结构：COC(=O)c1ccc2c(c1)OCCn1cc(-c3ncnn3C(C)C)nc1-2

HCID58204510

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(C3=NC(C)(C)CO3)cc1OCC2

HCID58204523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6840bb7fa85447bfb933383316a223cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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