HRID116430

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COC(=O)c1ccc(OCC2CC(Oc3ccccc3)CN2)cc1

HCID17859368

未命名化合物

HCID23508315

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

C16H14N2O3

PRODUCTS

生成物

结构：COC(=O)c1ccc(OCC2CC(Oc3ccccc3)CN2C(=O)Cc2ccc3nc(Nc4ccccc4C)oc3c2)cc1

HCID67405876

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86dfe7e9888f4b94ae4177423a3dd33d
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

[CH3:1][c:2]1[c:3]([NH:8][c:9]2[o:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][c:16]([CH2:18][C:19](=[O:20])[OH:21])[cH:17]3)[cH:4][cH:5][cH:6][cH:7]1.[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[O:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[CH:29]1[CH2:30][CH:31]([CH2:34][O:35][c:36]2[cH:37][cH:38][c:39]([C:40](=[O:41])[O:42][CH3:43])[cH:44][cH:45]2)[NH:32][CH2:33]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH2:68].[OH:46][n:47]1[c:48]2[c:49]([cH:50][cH:51][cH:52][cH:53]2)[n:54][n:55]1>>[CH3:1][c:2]1[c:3]([NH:8][c:9]2[o:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][c:16]([CH2:18][C:19](=[O:20])[N:32]2[CH:31]([CH2:34][O:35][c:36]4[cH:37][cH:38][c:39]([C:40](=[O:41])[O:42][CH3:43])[cH:44][cH:45]4)[CH2:30][CH:29]([O:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[CH2:33]2)[cH:17]3)[cH:4][cH:5][cH:6][cH:7]1