HRID663775

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID26297

2-Chloro-2-oxoethyl acetate

C4H5ClO3

结构：NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1

HCID22038390

未命名化合物

PRODUCTS

生成物

结构：O=C1CCCN1Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1

HCID22037931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13839a7d194f441381cd9e0a759dff96
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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