HRID286659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID18321046

3-(Piperidin-4-yl)quinolin-2(1H)-one

C14H16N2O

结构：NC1CCC(c2cccc(F)c2F)Cn2c(CC(F)(F)F)cnc21

HCID69175829

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CCC(c2cccc(F)c2F)Cn2c(CC(F)(F)F)cnc21)N1CCC(c2cc3ccccc3[nH]c2=O)CC1

HCID69174923

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5ba093d88cb4187a520986f30f922db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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.[F:8][c:9]1[c:10]([CH:16]2[CH2:17][CH2:18][CH:19]([NH2:31])[c:20]3[n:21]([c:23]([CH2:26][C:27]([F:28])([F:29])[F:30])[cH:24][n:25]3)[CH2:22]2)[cH:11][cH:12][cH:13][c:14]1[F:15].[NH:45]1[CH2:46][CH2:47][CH:48]([c:51]2[c:52](=[O:61])[nH:53][c:54]3[cH:55][cH:56][cH:57][cH:58][c:59]3[cH:60]2)[CH2:49][CH2:50]1.[Na+:62].[Na+:63].[O-:64][C:65](=[O:66])[O-:67].[O:68]1[CH2:69][CH2:70][CH2:71][CH2:72]1>>[F:8][c:9]1[c:10]([CH:16]2[CH2:17][CH2:18][CH:19]([NH:31][C:33](=[O:34])[N:45]3[CH2:46][CH2:47][CH:48]([c:51]4[c:52](=[O:61])[nH:53][c:54]5[cH:55][cH:56][cH:57][cH:58][c:59]5[cH:60]4)[CH2:49][CH2:50]3)[c:20]3[n:21]([c:23]([CH2:26][C:27]([F:28])([F:29])[F:30])[cH:24][n:25]3)[CH2:22]2)[cH:11][cH:12][cH:13][c:14]1[F:15]