HRID2144619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7250

2,4-Dimethylaniline

C8H11N

HCID7972

4-Methylmorpholine

C5H11NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)OC(=O)C(C)(C)Cc1ccc(CN(CC(=O)O)Cc2ccco2)cc1

HCID22708180

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)CN(Cc2ccc(CC(C)(C)C(=O)OC(C)(C)C)cc2)Cc2ccco2)c(C)c1

HCID22708241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c1d2fba45be49de85e27ea195b4ef2b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23]([C:24]([CH2:25][c:26]1[cH:27][cH:28][c:29]([CH2:30][N:31]([CH2:32][C:33](=[O:34])[OH:35])[CH2:36][c:37]2[o:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43]1)([CH3:44])[CH3:45])=[O:46].[CH3:11][N:12]1[CH2:13][CH2:14][O:15][CH2:16][CH2:17]1.[CH3:47][c:48]1[cH:49][cH:50][c:51]([NH2:52])[c:53]([CH3:54])[cH:55]1.[CH3:56][N:57]([CH3:58])[c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[OH2:70].[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23]([C:24]([CH2:25][c:26]1[cH:27][cH:28][c:29]([CH2:30][N:31]([CH2:32][C:33](=[O:34])[NH:52][c:51]2[cH:50][cH:49][c:48]([CH3:47])[cH:55][c:53]2[CH3:54])[CH2:36][c:37]2[o:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43]1)([CH3:44])[CH3:45])=[O:46]