HRID314266

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID31374

Dimethylacetamide

C4H9NO

HCID77637

Cyclopropanecarbonyl chloride

C4H5ClO

反应SMILES：CC(C)(C)OC(=O)Nc1ccc(Oc2ccc3nc(N)sc3n2)c(F)c1

HCID58158490

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3n2)c(F)c1

HCID58158551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8f2bd6da6db8407487e42eccbe0bec6e
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

[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:41][N:42]([CH3:43])[C:44](=[O:45])[CH3:46].[CH:27]1([C:30](=[O:31])[Cl:32])[CH2:28][CH2:29]1.[NH2:1][c:2]1[s:3][c:4]2[n:5][c:6]([O:11][c:12]3[c:13]([F:26])[cH:14][c:15]([NH:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[cH:16][cH:17]3)[cH:7][cH:8][c:9]2[n:10]1.[OH2:40]>>[NH:1]([c:2]1[s:3][c:4]2[n:5][c:6]([O:11][c:12]3[c:13]([F:26])[cH:14][c:15]([NH:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[cH:16][cH:17]3)[cH:7][cH:8][c:9]2[n:10]1)[C:30]([CH:27]1[CH2:28][CH2:29]1)=[O:31]