HRID201941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

结构：NC1CCC(c2cccc(F)c2F)CN(CC(F)(F)F)C1=O

HCID22293167

未命名化合物

HCID22293182

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

C11H14N4O

PRODUCTS

生成物

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

HCID11169048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84eac1faad8146b394d9606bcfacd476
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

[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[Cl:30][C:31](=[O:32])[O:33][c:34]1[cH:35][cH:36][c:37]([N+:38]([O-:39])=[O:40])[cH:41][cH:42]1.[Cl:66][CH2:67][Cl:68].[ClH:43].[ClH:44].[NH2:8][CH:9]1[C:10](=[O:29])[N:11]([CH2:24][C:25]([F:26])([F:27])[F:28])[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:45]=[c:46]1[n:47]([CH:55]2[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]2)[c:48]2[c:49]([n:50][cH:51][cH:52][cH:53]2)[nH:54]1.[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1>>[NH:8]([CH:9]1[C:10](=[O:29])[N:11]([CH2:24][C:25]([F:26])([F:27])[F:28])[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:31](=[O:32])[N:58]1[CH2:57][CH2:56][CH:55]([n:47]2[c:46](=[O:45])[nH:54][c:49]3[c:48]2[cH:53][cH:52][cH:51][n:50]3)[CH2:60][CH2:59]1