HRID687947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6893

2,3-Xylidine

C8H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：CC(C)(C)OC(=O)N1CCc2c(n(CC(=O)O)c3ccccc23)CC1

HCID22396950

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN(C(=O)OC(C)(C)C)CC3)c1C

HCID22396686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4d3edbe79194fd0813b4f02a0c20233
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[n:12]([CH2:22][C:23](=[O:24])[OH:25])[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]2[CH2:20][CH2:21]1.[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:26][c:27]1[c:28]([NH2:29])[cH:30][cH:31][cH:32][c:33]1[CH3:34].[CH3:35][N:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][n:42]1)[CH3:43].[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[CH:44]([N:45]=[C:46]=[N:47][CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[n:12]([CH2:22][C:23](=[O:24])[NH:29][c:28]3[c:27]([CH3:26])[c:33]([CH3:34])[cH:32][cH:31][cH:30]3)[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]2[CH2:20][CH2:21]1