HRID206388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12095870

4-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one

C6H4ClN3O

结构：CN(CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCNCC1)C(=O)OCc1ccccc1

HCID67264746

未命名化合物

PRODUCTS

生成物

结构：CN(CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc3c2CC(=O)N3)CC1)C(=O)OCc1ccccc1

HCID67264871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fc3040dffb144f78db30d55c9c243e8
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

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