HRID665006

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

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID69140

4-Chloroquinoline

C9H6ClN

结构：Cc1cc(Nc2ccc(C(=O)Nc3ccc(N)cc3)cc2)nc(N)n1

HCID67200551

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

2 次

结构：Cc1cc(Nc2ccc(C(=O)Nc3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1

HCID67198481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffa1fe4b8c1e42b79306a43d27fa6832
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:38][OH:39].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[CH3:46][CH2:47][OH:48].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cl:26][c:27]1[cH:28][cH:29][n:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12.[ClH:37].[NH2:1][c:2]1[n:3][c:4]([CH3:25])[cH:5][c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]3[cH:17][cH:18][c:19]([NH2:22])[cH:20][cH:21]3)[cH:23][cH:24]2)[n:7]1.[OH2:49]>>[ClH:26].[ClH:37].[NH2:1][c:2]1[n:3][c:4]([CH3:25])[cH:5][c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]3[cH:17][cH:18][c:19]([NH:22][c:27]4[cH:28][cH:29][n:30][c:31]5[cH:32][cH:33][cH:34][cH:35][c:36]45)[cH:20][cH:21]3)[cH:23][cH:24]2)[n:7]1