HRID2348147

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID2759136

4-(4-fluorophenyl)piperidine

C11H14FN

HCID11994532

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc2nc(CN3CCCC3)ccc2c1)N1CCC(c2ccc(F)cc2)CC1

HCID22340289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61fc511427b24af890fd027340d5f34b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Cl:24][C:25](=[O:26])[O:27][c:28]1[cH:29][cH:30][c:31]([N+:32]([O-:33])=[O:34])[cH:35][cH:36]1.[ClH:37].[F:38][c:39]1[cH:40][cH:41][c:42]([CH:45]2[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]2)[cH:43][cH:44]1.[N:1]1([CH2:6][c:7]2[n:8][c:9]3[cH:10][cH:11][c:12]([NH2:17])[cH:13][c:14]3[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Na+:52].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH-:51].[OH2:58].[cH:18]1[cH:19][cH:20][n:21][cH:22][cH:23]1>>[N:1]1([CH2:6][c:7]2[n:8][c:9]3[cH:10][cH:11][c:12]([NH:17][C:25](=[O:26])[N:48]4[CH2:47][CH2:46][CH:45]([c:42]5[cH:41][cH:40][c:39]([F:38])[cH:44][cH:43]5)[CH2:50][CH2:49]4)[cH:13][c:14]3[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1