HRID1126417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID651148

phenyl N-(1,3-thiazol-2-yl)carbamate

C10H8N2O2S

反应SMILES：Nc1ccc(Oc2ccnc(NC(=O)C3CCC3)c2)cc1

HCID22936480

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(Nc1ccc(Oc2ccnc(NC(=O)C3CCC3)c2)cc1)Nc1nccs1

HCID22936466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-296bff81bc704a53996717922d3584d1
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

[CH3:37][S:38]([CH3:39])=[O:40].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH:1]1([C:5](=[O:6])[NH:7][c:8]2[n:9][cH:10][cH:11][c:12]([O:14][c:15]3[cH:16][cH:17][c:18]([NH2:19])[cH:20][cH:21]3)[cH:13]2)[CH2:2][CH2:3][CH2:4]1.[OH2:41].[s:22]1[c:23]([NH:27][C:28]([O:29][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:30])[n:24][cH:25][cH:26]1>>[CH:1]1([C:5](=[O:6])[NH:7][c:8]2[n:9][cH:10][cH:11][c:12]([O:14][c:15]3[cH:16][cH:17][c:18]([NH:19][C:28]([NH:27][c:23]4[s:22][cH:26][cH:25][n:24]4)=[O:29])[cH:20][cH:21]3)[cH:13]2)[CH2:2][CH2:3][CH2:4]1