HRID321160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID4342832

Leucine, 1,1-dimethylethyl ester

C10H21NO2

结构：Nc1c(C(=O)c2ccc(F)cc2F)ccc(=O)n1-c1c(F)cc(OCCCCCCl)cc1F

HCID57658448

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(NCCCCCOc1cc(F)c(-n2c(N)c(C(=O)c3ccc(F)cc3F)ccc2=O)c(F)c1)C(=O)OC(C)(C)C

HCID178446361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cdf2ce04ce84a5aaf6b52d9ed87252a
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

[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[ClH:34].[I-:49].[NH2:1][c:2]1[c:3]([C:24]([c:25]2[c:26]([F:32])[cH:27][c:28]([F:31])[cH:29][cH:30]2)=[O:33])[cH:4][cH:5][c:6](=[O:23])[n:7]1-[c:8]1[c:9]([F:22])[cH:10][c:11]([O:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][Cl:21])[cH:12][c:13]1[F:14].[NH2:35][CH:36]([CH2:37][CH:38]([CH3:39])[CH3:40])[C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47].[Na+:48].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63]>>[NH2:1][c:2]1[c:3]([C:24]([c:25]2[c:26]([F:32])[cH:27][c:28]([F:31])[cH:29][cH:30]2)=[O:33])[cH:4][cH:5][c:6](=[O:23])[n:7]1-[c:8]1[c:9]([F:22])[cH:10][c:11]([O:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][NH:35][CH:36]([CH2:37][CH:38]([CH3:39])[CH3:40])[C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[cH:12][c:13]1[F:14]