Ethylene Glycol → 2-Hydroxyethyl 2-(4-((2-amino-4-(butylamino)-6-methylpyrimidin-5-yl)methyl)-3-methoxyphenyl)acetate

HRID 293485Notes

Reaction equation

HRID 293485 reaction equation
[CH2:27]([CH2:28][OH:29])[OH:30].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[NH2:1][c:2]1[n:3][c:4]([CH3:26])[c:5]([CH2:13][c:14]2[c:15]([O:24][CH3:25])[cH:16][c:17]([CH2:20][C:21](=[O:22])[OH:23])[cH:18][cH:19]2)[c:6]([NH:8][CH2:9][CH2:10][CH2:11][CH3:12])[n:7]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[NH2:1][c:2]1[n:3][c:4]([CH3:26])[c:5]([CH2:13][c:14]2[c:15]([O:24][CH3:25])[cH:16][c:17]([CH2:20][C:21](=[O:22])[O:23][CH2:27][CH2:28][OH:29])[cH:18][cH:19]2)[c:6]([NH:8][CH2:9][CH2:10][CH2:11][CH3:12])[n:7]1

Participants

7

Reactant 6

HCID 174Ethylene GlycolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 684141782-(4-((2-Amino-4-(butylamino)-6-methylpyrimidin-5-yl)methyl)-3-methoxyphenyl)acetic acid

Product 1

HCID 426137472-Hydroxyethyl 2-(4-((2-amino-4-(butylamino)-6-methylpyrimidin-5-yl)methyl)-3-methoxyphenyl)acetate

Sources & evidence

ORD record
ord-f894bc8921634872b71dfa99864945da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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