HRID105737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7237

o-Xylene

C8H10

HCID8706

2-Aminobenzothiazole

C7H6N2S

结构：CC(=O)OCC1OC(N=C=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID312833

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(NC(=S)Nc2nc3ccccc3s2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b16180058a2e453cbf1eca30f5e7bd21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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