HRID157811

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID69195

2-Tolyl isothiocyanate

C8H7NS

结构：Cc1ccccc1Nc1nc2ccc(CC(=O)Nc3ccc(C4(CC(=O)O)Cc5ccccc5C4)cc3)cc2o1

HCID10119302

未命名化合物

PRODUCTS

生成物

HCID23508315

[2-(2-Methylanilino)-1,3-benzoxazol-6-yl]acetic acid

C16H14N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b920c4a9d134437b787f36a6145365c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:66][CH2:67][OH:68].[CH:51]1([N:52]=[C:53]=[N:54][CH:55]2[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]2)[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1.[c:1]1([CH3:40])[c:2]([NH:7][c:8]2[o:9][c:10]3[c:11]([n:12]2)[cH:13][cH:14][c:15]([CH2:17][C:18](=[O:19])[NH:20][c:21]2[cH:22][cH:23][c:24]([C:25]4([CH2:26][C:27]([OH:28])=[O:29])[CH2:30][c:31]5[c:32]([cH:33][cH:34][cH:35][cH:36]5)[CH2:37]4)[cH:38][cH:39]2)[cH:16]3)[cH:3][cH:4][cH:5][cH:6]1.[c:41]1([CH3:42])[c:43]([N:44]=[C:45]=[S:46])[cH:47][cH:48][cH:49][cH:50]1>>[c:1]1([CH3:40])[c:2]([NH:7][c:8]2[o:9][c:10]3[c:11]([n:12]2)[cH:13][cH:14][c:15]([CH2:17][C:18]([OH:19])=[O:68])[cH:16]3)[cH:3][cH:4][cH:5][cH:6]1