HRID171287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID141951

8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, 3-methanesulfonate

C9H17NO3S

HCID166653

Hydride

H-

结构：Nc1ncnc2[nH]cc(-c3ccc(Oc4ccccc4)cc3)c12

HCID12042234

未命名化合物

PRODUCTS

生成物

结构：CN1C2CCC1CC(n1cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc31)C2

HCID22736220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05ec5e58c08449079abffcd017fbdbfb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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