HRID286653

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

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1c(C(O)C2CCc3cc4ccccc4n3C2=O)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID11756993

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID15051929

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d9399b419a94771ad509c567f92bd16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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