HRID1146141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID67113455

未命名化合物

HCID86666566

未命名化合物

PRODUCTS

生成物

结构：CC1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCN4CCCC4)CC3)c21

HCID67112014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b154738f37b0464b992b3aaf3d5168d6
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

[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][C:44]1=[O:45].[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[NH:8][C:9](=[O:13])[CH2:10][CH:11]2[CH3:12].[ClH:14].[ClH:15].[ClH:16].[N:17]1([CH2:22][CH2:23][n:24]2[c:25]([CH:33]3[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]3)[n:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]2)[CH2:18][CH2:19][CH2:20][CH2:21]1.[OH2:55]>>[c:2]1([N:36]2[CH2:35][CH2:34][CH:33]([c:25]3[n:24]([CH2:23][CH2:22][N:17]4[CH2:18][CH2:19][CH2:20][CH2:21]4)[cH:28][c:27]([C:29]([F:30])([F:31])[F:32])[n:26]3)[CH2:38][CH2:37]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[NH:8][C:9](=[O:13])[CH2:10][CH:11]2[CH3:12]