HRID1204871

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID11065838

未命名化合物

HCID68670459

未命名化合物

PRODUCTS

生成物

结构：C=C(C)c1cncc(C(=O)NCC(O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)c1

HCID141232495

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1dea6258c2444e6db043a8bce9b265ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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