HRID110259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID22293182

1-(Piperidin-4-yl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

C11H14N4O

结构：NC1CN(Cc2cccc(F)c2F)CCN(CC(F)(F)F)C1=O

HCID22293249

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CN(Cc2cccc(F)c2F)CCN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1

HCID22293161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82c94da13ffd4fd68a7f2487975959dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[Cl:31][C:32](=[O:33])[O:34][c:35]1[cH:36][cH:37][c:38]([N+:39]([O-:40])=[O:41])[cH:42][cH:43]1.[ClH:44].[ClH:45].[NH2:8][CH:9]1[C:10](=[O:30])[N:11]([CH2:25][C:26]([F:27])([F:28])[F:29])[CH2:12][CH2:13][N:14]([CH2:16][c:17]2[c:18]([F:24])[c:19]([F:23])[cH:20][cH:21][cH:22]2)[CH2:15]1.[O:46]=[c:47]1[n:48]([CH:56]2[CH2:57][CH2:58][NH:59][CH2:60][CH2:61]2)[c:49]2[c:50]([n:51][cH:52][cH:53][cH:54]2)[nH:55]1.[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1>>[NH:8]([CH:9]1[C:10](=[O:30])[N:11]([CH2:25][C:26]([F:27])([F:28])[F:29])[CH2:12][CH2:13][N:14]([CH2:16][c:17]2[c:18]([F:24])[c:19]([F:23])[cH:20][cH:21][cH:22]2)[CH2:15]1)[C:32](=[O:33])[N:59]1[CH2:58][CH2:57][CH:56]([n:48]2[c:47](=[O:46])[nH:55][c:50]3[c:49]2[cH:54][cH:53][cH:52][n:51]3)[CH2:61][CH2:60]1