HRID122547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID679

Dimethyl sulfoxide

C2H6OS

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID69140

4-Chloroquinoline

C9H6ClN

结构：CC(=NN=C(N)N)c1cccc(NC(=O)c2ccc(N)cc2)c1

HCID91591036

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

2 次

结构：CC(=NN=C(N)N)c1cccc(NC(=O)c2ccc(Nc3ccnc4ccccc34)cc2)c1

HCID72290609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c64d1aee5cf4124a200f9028473bd8f
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

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