HRID1540921

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：NC1CCC(c2cccc(F)c2F)CN(Cc2ccccn2)C1=O

HCID22293251

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCC(c2cccc(F)c2F)CN(Cc2ccccn2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1

HCID11433118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8926512d72b14eaf83b99747b57c47dc
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

[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[Cl:32][C:33](=[O:34])[O:35][c:36]1[cH:37][cH:38][c:39]([N+:40]([O-:41])=[O:42])[cH:43][cH:44]1.[ClH:45].[ClH:46].[NH2:8][CH:9]1[C:10](=[O:31])[N:11]([CH2:24][c:25]2[n:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:12][CH:13]([c:16]2[c:17]([F:23])[c:18]([F:22])[cH:19][cH:20][cH:21]2)[CH2:14][CH2:15]1.[O:47]=[c:48]1[n:49]([CH:57]2[CH2:58][CH2:59][NH:60][CH2:61][CH2:62]2)[c:50]2[c:51]([n:52][cH:53][cH:54][cH:55]2)[nH:56]1.[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1>>[NH:8]([CH:9]1[C:10](=[O:31])[N:11]([CH2:24][c:25]2[n:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:12][CH:13]([c:16]2[c:17]([F:23])[c:18]([F:22])[cH:19][cH:20][cH:21]2)[CH2:14][CH2:15]1)[C:33](=[O:34])[N:60]1[CH2:59][CH2:58][CH:57]([n:49]2[c:48](=[O:47])[nH:56][c:51]3[c:50]2[cH:55][cH:54][cH:53][n:52]3)[CH2:62][CH2:61]1