HRID1231894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID8021

Diethylamine

C4H11N

HCID8028

Tetrahydrofuran

C4H8O

结构：Cc1cc(-c2noc(-c3sc(C)c4c3CC3C4C3(C)C)n2)cc(C)c1OCC1COC(C)(C)OC1

HCID178423545

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2noc(-c3sc(C)c4c3CC3C4C3(C)C)n2)cc(C)c1OCC(CO)CO

HCID178423548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e924a5996e0d4c42be2fd604c009b58d
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

[C:43]([OH:44])(=[O:45])[CH3:46].[CH2:37]([NH:38][CH2:39][CH3:40])[CH3:41].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:1][C:2]1([CH3:35])[O:3][CH2:4][CH:5]([CH2:8][O:9][c:10]2[c:11]([CH3:34])[cH:12][c:13](-[c:17]3[n:18][o:19][c:20](-[c:22]4[c:23]5[c:27]([c:28]([CH3:30])[s:29]4)[CH:26]4[CH:25]([CH2:24]5)[C:31]4([CH3:32])[CH3:33])[n:21]3)[cH:14][c:15]2[CH3:16])[CH2:6][O:7]1.[CH:52]([OH:53])([CH3:54])[CH3:55].[ClH:36].[OH2:42]>>[OH:3][CH2:4][CH:5]([CH2:6][OH:7])[CH2:8][O:9][c:10]1[c:11]([CH3:34])[cH:12][c:13](-[c:17]2[n:18][o:19][c:20](-[c:22]3[c:23]4[c:27]([c:28]([CH3:30])[s:29]3)[CH:26]3[CH:25]([CH2:24]4)[C:31]3([CH3:32])[CH3:33])[n:21]2)[cH:14][c:15]1[CH3:16]