Hydrochloric Acid → Hydrochloric Acid

HRID 699781Notes

Reaction equation

HRID 699781 reaction equation
[CH2:42]([O:43][CH:44]([OH:45])[CH3:46])[CH3:47].[Cl:1][c:2]1[c:3]([C:24]#[N:25])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][CH2:17][c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[c:9]([O:12][CH3:13])[cH:10][c:11]12.[ClH:35].[OH:26][c:27]1[cH:28][c:29]([NH2:30])[cH:31][cH:32][c:33]1[CH3:34].[n:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[ClH:1].[c:2]1([NH:30][c:29]2[cH:28][c:27]([OH:26])[c:33]([CH3:34])[cH:32][cH:31]2)[c:3]([C:24]#[N:25])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][CH2:17][c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[c:9]([O:12][CH3:13])[cH:10][c:11]12

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 1049PyridineHCID 178185-Amino-2-methylphenolHCID 101298981-EthoxyethanolHCID 216973214-Chloro-6-methoxy-7-(3-pyridin-4-yl-propoxy)-quinoline-3-carbonitrile

Product 2

HCID 313Hydrochloric AcidHCID 115030814-(3-Hydroxy-4-methylanilino)-6-methoxy-7-(3-pyridin-4-ylpropoxy)quinoline-3-carbonitrile

Sources & evidence

ORD record
ord-512e147c620240098da171ba7f5b9bc9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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