HRID203041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID2736319

3,5-dimethylisoxazole-4-sulfonyl chloride

C5H6ClNO3S

结构：COc1ccc(F)cc1C(=O)c1cnc(NC2CCNCC2)nc1N

HCID9997668

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)cc1C(=O)c1cnc(NC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)nc1N

HCID9983599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58eea5fa1dcf4a48aacee263bcba82a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:35][c:36]1[n:37][o:38][c:39]([CH3:45])[c:40]1[S:41](=[O:42])(=[O:43])[Cl:44].[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[NH2:1][c:2]1[n:3][c:4]([NH:19][CH:20]2[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]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.[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:46]>>[NH2:1][c:2]1[n:3][c:4]([NH:19][CH:20]2[CH2:21][CH2:22][N:23]([S:41]([c:40]3[c:36]([CH3:35])[n:37][o:38][c:39]3[CH3:45])(=[O:42])=[O:43])[CH2:24][CH2:25]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