HRID1569424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID86079

Tetrahydro-2-furancarboxylic acid

C5H8O3

结构：COCCOc1cc2ncnc(Nc3ccc(OC4CCNCC4)c(C)c3)c2cc1OCCOC

HCID69051901

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc2ncnc(Nc3ccc(OC4CCN(C(=O)C5CCCO5)CC4)c(C)c3)c2cc1OCCOC

HCID69054165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7415fd54b80f46b09b5578a0e764433d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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