HRID187675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID4837

Piperazine

C4H10N2

HCID81531

Diisopropylethylamine

C8H19N

结构：Nc1nc(Cl)cc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)n1

HCID58733241

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(N2CCNCC2)n1

HCID58733318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-521cd91cf66a47c1b2d16a5b49d77302
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:27]([N:28]([CH:29]([CH3:30])[CH3:31])[CH:32]([CH3:33])[CH3:34])[CH3:35].[CH2:36]1[CH2:37][NH:38][CH2:39][CH2:40][NH:41]1.[CH2:42]([OH:43])[CH2:44][CH2:45][CH3:46].[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[cH:11][c:12]([F:26])[c:13]([O:16][c:17]3[c:18]4[c:19]([n:20][cH:21][cH:22]3)[nH:23][cH:24][cH:25]4)[cH:14][cH:15]2)[n:5][c:6]([NH2:8])[n:7]1>>[c:2]1([N:38]2[CH2:37][CH2:36][NH:41][CH2:40][CH2:39]2)[cH:3][c:4]([NH:9][c:10]2[cH:11][c:12]([F:26])[c:13]([O:16][c:17]3[c:18]4[c:19]([n:20][cH:21][cH:22]3)[nH:23][cH:24][cH:25]4)[cH:14][cH:15]2)[n:5][c:6]([NH2:8])[n:7]1