HRID702556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID28338626

未命名化合物

HCID66967099

未命名化合物

PRODUCTS

生成物

结构：CCCOc1c(CN(C)C(=O)C=Cc2cnc3c(c2)OCC(=O)N3)cccc1OC

HCID66967134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24faa55b2f3c48e9b0fc0d352a3bef42
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

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