Hydrochloric Acid → Diethyl 2-{-4-[2-chloro-5-(2,3-difluoro-6-methoxybenzyloxy)-4-methoxyphenylamino]-6-methoxy-5-nitropyrimidin-2-yl}malonate

HRID 204900Notes

Reaction equation

HRID 204900 reaction equation
[C:35]([CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])(=[O:42])[O:43][CH2:44][CH3:45].[C:46](=[O:47])([O-:48])[O-:49].[CH3:53][O:54][CH2:55][CH2:56][O:57][CH3:58].[Cl:1][c:2]1[c:3]([NH:4][c:5]2[n:6][c:7]([Cl:16])[n:8][c:9]([O:14][CH3:15])[c:10]2[N+:11](=[O:12])[O-:13])[cH:17][c:18]([O:23][CH2:24][c:25]2[c:26]([F:34])[c:27]([F:33])[cH:28][cH:29][c:30]2[O:31][CH3:32])[c:19]([O:21][CH3:22])[cH:20]1.[ClH:52].[Cs+:50].[Cs+:51]>>[Cl:1][c:2]1[c:3]([NH:4][c:5]2[n:6][c:7]([CH:36]([C:35](=[O:42])[O:43][CH2:44][CH3:45])[C:37](=[O:38])[O:39][CH2:40][CH3:41])[n:8][c:9]([O:14][CH3:15])[c:10]2[N+:11](=[O:12])[O-:13])[cH:17][c:18]([O:23][CH2:24][c:25]2[c:26]([F:34])[c:27]([F:33])[cH:28][cH:29][c:30]2[O:31][CH3:32])[c:19]([O:21][CH3:22])[cH:20]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 7761Diethyl MalonateHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 866412872-chloro-N-(2-chloro-6-methoxy-5-nitropyrimidin-4-yl)-5-(2,3-difluoro-6-methoxy-benzyloxy)-4-methoxyaniline

Product 1

HCID 68511566Diethyl 2-{-4-[2-chloro-5-(2,3-difluoro-6-methoxybenzyloxy)-4-methoxyphenylamino]-6-methoxy-5-nitropyrimidin-2-yl}malonate

Sources & evidence

ORD record
ord-e81249fdd7044a14877720af19a14823
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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