HRID1572391

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

结构：COc1ccc(CN2C(=O)CC(C(F)(F)F)c3c(Cl)ncnc32)c(OC)c1

HCID86666568

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2C(=O)CC(C(F)(F)F)c3c(N4CCC(c5nc(C(F)(F)F)cn5CCN5CCCC5)CC4)ncnc32)c(OC)c1

HCID88531153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-241a885fff844a5f8370fca26ca02014
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:53][N:54]1[CH2:55][CH2:56][CH2:57][C:58]1=[O:59].[CH:60]([N:61]([CH:62]([CH3:63])[CH3:64])[CH2:65][CH3:66])([CH3:67])[CH3:68].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[N:8]([CH2:17][c:18]1[c:19]([O:26][CH3:27])[cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]1)[C:9](=[O:16])[CH2:10][CH:11]2[C:12]([F:13])([F:14])[F:15].[ClH:28].[ClH:29].[ClH:30].[N:31]1([CH2:36][CH2:37][n:38]2[c:39]([CH:47]3[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]3)[n:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]2)[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH2:69]>>[c:2]1([N:50]2[CH2:49][CH2:48][CH:47]([c:39]3[n:38]([CH2:37][CH2:36][N:31]4[CH2:32][CH2:33][CH2:34][CH2:35]4)[cH:42][c:41]([C:43]([F:44])([F:45])[F:46])[n:40]3)[CH2:52][CH2:51]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[N:8]([CH2:17][c:18]1[c:19]([O:26][CH3:27])[cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]1)[C:9](=[O:16])[CH2:10][CH:11]2[C:12]([F:13])([F:14])[F:15]