HRID802209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID962

Water

H2O

HCID68284

Benzoyl isothiocyanate

C8H5NOS

结构：CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(N)nc21

HCID58180503

未命名化合物

PRODUCTS

生成物

结构：CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(NC(=S)NC(=O)c3ccccc3)nc21

HCID58180632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecf4a23e1f1a41a69ef1a7b3f499291c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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