HRID1124348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6276

1-Pentanol

C5H12O

HCID81531

Diisopropylethylamine

C8H19N

HCID258198

α-Methyl-1-piperazineethanol

C7H16N2O

结构：Cc1cc(Cl)nn2c(-c3ccnc4[nH]ccc34)c(-c3ccc(F)cc3)nc12

HCID46899500

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N2CCN(CC(C)O)CC2)nn2c(-c3ccnc4[nH]ccc34)c(-c3ccc(F)cc3)nc12

HCID67016600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59b750ba3d7c485c97cd964731acf8b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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