HRID692687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID19081094

tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate

C10H20N2O3

结构：CCCCc1nnc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1-c1ccc(OC2CCCCC2)cc1

HCID86657823

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nnc(C(=O)NCC2CN(C(=O)OC(C)(C)C)CCO2)cc1-c1ccc(OC2CCCCC2)cc1

HCID67373635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82f9135723b9490484d2d8a62e907b2f
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:45]([CH3:46])([CH3:47])([CH3:48])[O:49][C:50](=[O:51])[N:52]1[CH2:53][CH:54]([CH2:58][NH2:59])[O:55][CH2:56][CH2:57]1.[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[ClH:1].[F:2][c:3]1[c:4]([O:9][C:10](=[O:5])[c:12]2[n:13][n:14][c:15]([CH2:31][CH2:32][CH2:33][CH3:34])[c:16](-[c:18]3[cH:19][cH:20][c:21]([O:24][CH:25]4[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]4)[cH:22][cH:23]3)[cH:17]2)[c:6]([F:7])[c:8]([F:11])[c:35]([F:36])[c:37]1[F:38].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[O:9]=[C:10]([c:12]1[n:13][n:14][c:15]([CH2:31][CH2:32][CH2:33][CH3:34])[c:16](-[c:18]2[cH:19][cH:20][c:21]([O:24][CH:25]3[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]3)[cH:22][cH:23]2)[cH:17]1)[NH:59][CH2:58][CH:54]1[CH2:53][N:52]([C:50]([O:49][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:51])[CH2:57][CH2:56][O:55]1