Hydrochloric Acid → Hydrochloric Acid

HRID 283113Notes

Reaction equation

HRID 283113 reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[CH3:29][O:30][CH2:31][CH2:32][NH2:33].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[Cl:49][CH2:50][Cl:51].[ClH:48].[F:1][c:2]1[c:3]([CH:4]=[O:5])[cH:6][c:7](-[c:10]2[n:11][c:12]([O:27][CH3:28])[n:13][c:14]([NH:16][CH2:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]3)[cH:15]2)[cH:8][cH:9]1.[Na+:47]>>[ClH:48].[F:1][c:2]1[c:3]([CH2:4][NH:33][CH2:32][CH2:31][O:30][CH3:29])[cH:6][c:7](-[c:10]2[n:11][c:12]([O:27][CH3:28])[n:13][c:14]([NH:16][CH2:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]3)[cH:15]2)[cH:8][cH:9]1

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 80182-MethoxyethylamineHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 115817192-Fluoro-5-{2-methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzaldehyde

Product 2

HCID 313Hydrochloric AcidHCID 576361036-[4-fluoro-3-[(2-methoxyethylamino)methyl]phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

Sources & evidence

ORD record
ord-edbb31607e2f460a8d0129784a4bc8d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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