HRID98228

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

HCID23508315

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

C16H14N2O3

结构：COC(=O)c1ccc(OCC2CC(Oc3ccc4ccccc4c3)CN2)cc1

HCID23511966

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(OCC2CC(Oc3ccc4ccccc4c3)CN2C(=O)Cc2ccc3nc(Nc4ccccc4C)oc3c2)cc1

HCID178498246

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60fb006144604d099bd7d0ef88444245
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.[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[OH:50][n:51]1[c:52]2[c:53]([cH:54][cH:55][cH:56][cH:57]2)[n:58][n:59]1.[cH:22]1[c:23]([O:32][CH:33]2[CH2:34][CH:35]([CH2:38][O:39][c:40]3[cH:41][cH:42][c:43]([C:44](=[O:45])[O:46][CH3:47])[cH:48][cH:49]3)[NH:36][CH2:37]2)[cH:24][cH:25][c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]12>>[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:36]2[CH:35]([CH2:38][O:39][c:40]4[cH:41][cH:42][c:43]([C:44](=[O:45])[O:46][CH3:47])[cH:48][cH:49]4)[CH2:34][CH:33]([O:32][c:23]4[cH:22][c:31]5[c:26]([cH:25][cH:24]4)[cH:27][cH:28][cH:29][cH:30]5)[CH2:37]2)[cH:17]3)[cH:4][cH:5][cH:6][cH:7]1