Hydrochloric Acid → 4-(4-Chloro-2-fluoro-5-hydroxy-phenylamino)-7-(3-chloro-propoxy)-6-methoxy-quinoline-3-carbonitrile

HRID 1238023Notes

Reaction equation

HRID 1238023 reaction equation
[C:21](=[O:22])([O-:23])[O:24][CH3:25].[CH3:43][CH2:44][O:45][CH2:46][CH2:47][OH:48].[Cl:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[c:7]([O:19][CH3:20])[cH:8][c:9]2[c:10]([Cl:18])[c:11]([C:16]#[N:17])[cH:12][n:13][c:14]2[cH:15]1.[Cl:26][c:27]1[cH:28][c:29]([F:35])[c:30]([NH2:31])[cH:32][c:33]1[OH:34].[ClH:36].[n:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[Cl:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[c:7]([O:19][CH3:20])[cH:8][c:9]2[c:10]([NH:31][c:30]3[c:29]([F:35])[cH:28][c:27]([Cl:26])[c:33]([OH:34])[cH:32]3)[c:11]([C:16]#[N:17])[cH:12][n:13][c:14]2[cH:15]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 1049PyridineHCID 8076Glycol monoethyl etherHCID 1586545-Amino-2-chloro-4-fluorophenolHCID 4585885MethylcarbonateHCID 112206374-Chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile

Product 1

HCID 224665914-(4-Chloro-2-fluoro-5-hydroxy-phenylamino)-7-(3-chloro-propoxy)-6-methoxy-quinoline-3-carbonitrile

Sources & evidence

ORD record
ord-d9bf7a5f001648c3b96fde3842c6c30f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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