查数据/反应详情

HRID176864

反应详情

EQUATION

反应方程式

HRID 176864 的结构方程式

REACTANTS

反应物

2

结构：NCC1CCCO1

2-Furanmethanamine, tetrahydro-

C5H11NO

结构：CC1(C)OC(C)(C)c2c1sc(NC(=O)c1c(F)cccc1C(F)(F)F)c2C(=O)O

未命名化合物

PRODUCTS

生成物

1

结构：CC1(C)OC(C)(C)c2c1sc(NC(=O)c1c(F)cccc1C(F)(F)F)c2C(=O)NCC1CCCO1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23fd7c5407a34c9b82a43198c006a764
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

[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[c:8]([C:19](=[O:20])[OH:21])[c:9]3[c:10]([s:18]2)[C:11]([CH3:16])([CH3:17])[O:12][C:13]3([CH3:14])[CH3:15])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]1.[NH2:30][CH2:31][CH:32]1[O:33][CH2:34][CH2:35][CH2:36]1>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[c:8]([C:19](=[O:21])[NH:30][CH2:31][CH:32]3[O:33][CH2:34][CH2:35][CH2:36]3)[c:9]3[c:10]([s:18]2)[C:11]([CH3:16])([CH3:17])[O:12][C:13]3([CH3:14])[CH3:15])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]1

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