HRID298453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID702

Ethanol

C2H6O

HCID7965

Cyclohexylamine

C6H13N

HCID75655

4-(4-Morpholino)aniline

C10H14N2O

HCID81531

Diisopropylethylamine

C8H19N

HCID5287914

6-CHLORO-2-FLUOROPURINE

C5H2ClFN4

HCID23631959

未命名化合物

PRODUCTS

生成物

结构：c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCCCC3)c2[nH]1

HCID210332

Reversine

C21H27N7O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-678b381a9475440c8cb0959bec3312d1
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

[CH2:58]([OH:59])[CH2:60][CH2:61][CH3:62].[CH3:63][CH2:64][OH:65].[CH:19]([N:20]([CH:21]([CH3:22])[CH3:23])[CH2:24][CH3:25])([CH3:26])[CH3:27].[F:1][c:2]1[n:3][c:4]2[c:5]([nH:6][cH:7][n:8]2)[c:9]([Cl:10])[n:11]1.[F:28][c:29]1[n:30][c:31]([NH:38][CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[c:32]2[nH:33][cH:34][n:35][c:36]2[n:37]1.[NH2:12][CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[O:45]1[CH2:46][CH2:47][N:48]([c:51]2[cH:52][cH:53][c:54]([NH2:55])[cH:56][cH:57]2)[CH2:49][CH2:50]1>>[c:29]1([NH:55][c:54]2[cH:53][cH:52][c:51]([N:48]3[CH2:47][CH2:46][O:45][CH2:50][CH2:49]3)[cH:57][cH:56]2)[n:30][c:31]([NH:38][CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[c:32]2[nH:33][cH:34][n:35][c:36]2[n:37]1