Bicarbonate Ion → Trans-(4-Amino-2-[4-[bis-(2-hydroxy-ethyl)-amino]-cyclohexylamino]-pyrimidin-5-yl)-(2,3-difluoro-6-methoxy-phenyl)-methanone

HRID 958542Notes

Reaction equation

HRID 958542 reaction equation
[Br:31][CH2:32][CH2:33][OH:34].[C:35](=[O:36])([OH:37])[O-:38].[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[NH2:1][c:2]1[n:3][c:4]([NH:20][CH:21]2[CH2:22][CH2:23][CH:24]([NH:27][CH2:28][CH2:29][OH:30])[CH2:25][CH2:26]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([F:19])[c:12]([F:18])[cH:13][cH:14][c:15]1[O:16][CH3:17].[Na+:39]>>[NH2:1][c:2]1[n:3][c:4]([NH:20][CH:21]2[CH2:22][CH2:23][CH:24]([N:27]([CH2:28][CH2:29][OH:30])[CH2:32][CH2:33][OH:34])[CH2:25][CH2:26]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([F:19])[c:12]([F:18])[cH:13][cH:14][c:15]1[O:16][CH3:17]

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 108982-BromoethanolHCID 312751,4-DioxaneHCID 21070488HCID 21070488, compound

Product 1

HCID 21070491Trans-(4-Amino-2-[4-[bis-(2-hydroxy-ethyl)-amino]-cyclohexylamino]-pyrimidin-5-yl)-(2,3-difluoro-6-methoxy-phenyl)-methanone

Sources & evidence

ORD record
ord-ab33fc3ccff2461e8cf810a4bdfe89eb
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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