HRID114438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)Cc1ccc(-c2nc(COc3ccc(COc4nn(-c5ccccc5)cc4C=Cc4coc(C(C)(C)C)n4)cc3OC)c(C)o2)cc1

HCID90705235

未命名化合物

PRODUCTS

生成物

结构：COc1cc(COc2nn(-c3ccccc3)cc2C=Cc2coc(C(C)(C)C)n2)ccc1OCc1nc(-c2ccc(CC(=O)O)cc2)oc1C

HCID69217036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e811ad3f98c487fad6eb517276a0f31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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