HRID174095

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID69140

4-Chloroquinoline

C9H6ClN

结构：Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)nc(N)n1

HCID59457966

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1

HCID24858111

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cffa84f29784da5a2aa28fb50cc61fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:27][OH:28].[CH3:29][CH2:30][OH:31].[Cl:32][c:33]1[cH:34][cH:35][n:36][c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]12.[ClH:1].[NH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[n:18][c:19]([NH2:24])[n:20][c:21]([CH3:23])[cH:22]3)[cH:14][cH:15]2)[cH:25][cH:26]1.[OH2:43]>>[ClH:32].[NH:2]([c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[n:18][c:19]([NH2:24])[n:20][c:21]([CH3:23])[cH:22]3)[cH:14][cH:15]2)[cH:25][cH:26]1)[c:33]1[cH:34][cH:35][n:36][c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]12