HRID1115005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID1268291

4-Amino-1-Boc-piperidine

C10H20N2O2

结构：CCS(=O)c1ncc(C(=O)c2cc(F)ccc2OC)c(N)n1

HCID10314106

未命名化合物

结构：CCS(=O)(=O)c1ncc(C(=O)c2cc(F)ccc2OC)c(N)n1

HCID10472348

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)cc1C(=O)c1cnc(NC2CCN(C(=O)OC(C)(C)C)CC2)nc1N

HCID11974954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebfb7db1f5ae414db3fbbae3533386a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:60][N:61]1[CH2:62][CH2:63][CH2:64][C:65]1=[O:66].[NH2:1][c:2]1[n:3][c:4]([S:19]([CH2:20][CH3:21])=[O:22])[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([O:17][CH3:18])[cH:12][cH:13][c:14]([F:16])[cH:15]1.[NH2:23][c:24]1[c:25]([C:26]([c:27]2[cH:28][c:29]([F:30])[cH:31][cH:32][c:33]2[O:34][CH3:35])=[O:36])[cH:37][n:38][c:39]([S:40]([CH2:41][CH3:42])(=[O:43])=[O:44])[n:45]1.[NH2:46][CH:47]1[CH2:48][CH2:49][N:50]([C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[CH2:51][CH2:52]1.[OH2:67]>>[NH2:1][c:2]1[n:3][c:4]([NH:46][CH:47]2[CH2:48][CH2:49][N:50]([C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[CH2:51][CH2:52]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([O:17][CH3:18])[cH:12][cH:13][c:14]([F:16])[cH:15]1