Bicarbonate Ion → 5-(2-Isopropyl-4-methoxy-5-vinyl-phenoxy)-pyrimidine-2,4-diamine

HRID 190006Notes

Reaction equation

HRID 190006 reaction equation
[CH2:24]([N:25]([S:26]([F:27])([F:28])[F:29])[CH2:30][CH3:31])[CH3:32].[Cl:38][CH2:39][Cl:40].[NH2:1][c:2]1[n:3][cH:4][c:5]([O:9][c:10]2[c:11]([CH:21]([CH3:22])[CH3:23])[cH:12][c:13]([O:19][CH3:20])[c:14]([CH:16]([CH3:17])[OH:18])[cH:15]2)[c:6]([NH2:8])[n:7]1.[Na+:37].[O-:33][C:34]([OH:35])=[O:36]>>[NH2:1][c:2]1[n:3][cH:4][c:5]([O:9][c:10]2[c:11]([CH:21]([CH3:22])[CH3:23])[cH:12][c:13]([O:19][CH3:20])[c:14]([CH:16]=[CH2:17])[cH:15]2)[c:6]([NH2:8])[n:7]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 123472(Diethylamino)sulfur trifluorideHCID 573291161-[5-(2,4-Diamino-pyrimidin-5-yloxy)-4-isopropyl-2-methoxy-phenyl]-ethanol

Product 1

HCID 573289585-(2-Isopropyl-4-methoxy-5-vinyl-phenoxy)-pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-b898b39a4f844868992a05f3fb242769
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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