HRID284975

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6340

Ethane, iodo-

C2H5I

HCID166653

Hydride

H-

结构：Cc1ccc2c(N3CCN(CCc4cccc(N5CCNC5=O)c4)CC3)cccc2n1

HCID11292933

GSK-163090

C25H29N5O

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCN1CCN(c2cccc(CCN3CCN(c4cccc5nc(C)ccc45)CC3)c2)C1=O

HCID57444369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad33b2312a5c435ea1ec344a093471d4
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

[CH3:3][c:4]1[n:5][c:6]2[cH:7][cH:8][cH:9][c:10]([N:14]3[CH2:15][CH2:16][N:17]([CH2:20][CH2:21][c:22]4[cH:23][c:24]([N:28]5[C:29](=[O:33])[NH:30][CH2:31][CH2:32]5)[cH:25][cH:26][cH:27]4)[CH2:18][CH2:19]3)[c:11]2[cH:12][cH:13]1.[CH3:44][OH:45].[ClH:1].[ClH:2].[H-:34].[I:36][CH2:37][CH3:38].[Na+:35].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[CH3:3][c:4]1[n:5][c:6]2[cH:7][cH:8][cH:9][c:10]([N:14]3[CH2:15][CH2:16][N:17]([CH2:20][CH2:21][c:22]4[cH:23][c:24]([N:28]5[C:29](=[O:33])[N:30]([CH2:37][CH3:38])[CH2:31][CH2:32]5)[cH:25][cH:26][cH:27]4)[CH2:18][CH2:19]3)[c:11]2[cH:12][cH:13]1.[ClH:1]