Hydrochloric Acid → 8-[(4-chloro-5-methoxy-2-methylphenyl)amino]-3-[2-(morpholin-4-yl)ethyl]-3H-imidazo[4,5-g]quinoline-7-carbonitrile

HRID 205237Notes

Reaction equation

HRID 205237 reaction equation
[CH3:49][CH2:50][O:51][CH2:52][CH2:53][OH:54].[Cl:1][c:2]1[c:3]([C:23]#[N:24])[cH:4][n:5][c:6]2[cH:7][c:8]3[c:9]([cH:10][c:11]12)[n:12][cH:13][n:14]3[CH2:15][CH2:16][N:17]1[CH2:18][CH2:19][O:20][CH2:21][CH2:22]1.[Cl:25][c:26]1[cH:27][c:28]([CH3:35])[c:29]([NH2:30])[cH:31][c:32]1[O:33][CH3:34].[ClH:36].[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[OH2:55].[n:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[c:2]1([NH:30][c:29]2[c:28]([CH3:35])[cH:27][c:26]([Cl:25])[c:32]([O:33][CH3:34])[cH:31]2)[c:3]([C:23]#[N:24])[cH:4][n:5][c:6]2[cH:7][c:8]3[c:9]([cH:10][c:11]12)[n:12][cH:13][n:14]3[CH2:15][CH2:16][N:17]1[CH2:18][CH2:19][O:20][CH2:21][CH2:22]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 962WaterHCID 1049PyridineHCID 8076Glycol monoethyl etherHCID 19660Carbonate IonHCID 123258794-Chloro-5-methoxy-2-methylanilineHCID 219564158-chloro-3-[2-(4-morpholinyl)ethyl]-3H-imidazo[4,5-g]quinoline-7-carbonitrile

Product 1

HCID 53301228-[(4-chloro-5-methoxy-2-methylphenyl)amino]-3-[2-(morpholin-4-yl)ethyl]-3H-imidazo[4,5-g]quinoline-7-carbonitrile

Sources & evidence

ORD record
ord-56b88712b5e1420593e65a3d6f61d564
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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