Hydrochloric Acid → 2-chloro-5-(2,3-difluoro-6-methoxybenzyloxy)-N-(6-methoxy-2-dimethylamino-5-nitropyrimidin-4-yl)-4-methoxyaniline

HRID 2343698Notes

Reaction equation

HRID 2343698 reaction equation
[CH3:36][NH:37][CH3:38].[CH3:48][C:49]#[N:50].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[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:35].[OH2:51]>>[Cl:1][c:2]1[c:3]([NH:4][c:5]2[n:6][c:7]([N:37]([CH3:36])[CH3:38])[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 674DimethylamineHCID 962WaterHCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 866412872-chloro-N-(2-chloro-6-methoxy-5-nitropyrimidin-4-yl)-5-(2,3-difluoro-6-methoxy-benzyloxy)-4-methoxyaniline

Product 1

HCID 685092882-chloro-5-(2,3-difluoro-6-methoxybenzyloxy)-N-(6-methoxy-2-dimethylamino-5-nitropyrimidin-4-yl)-4-methoxyaniline

Sources & evidence

ORD record
ord-3cd1ab032f0540d0b73faf0affe5278c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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