Formaldehyde → 4-(3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-azetanylmethyl)-1-methyl-4-piperidinol

HRID 1222246Notes

Reaction equation

HRID 1222246 reaction equation
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH2:36]=[O:37].[Cl:52][CH:53]([Cl:54])[CH3:55].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:24]1[CH2:25][N:26]([CH2:28][C:29]3([OH:35])[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]3)[CH2:27]1)[n:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([O:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:15][cH:16]1.[Na+:51]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:24]1[CH2:25][N:26]([CH2:28][C:29]3([OH:35])[CH2:30][CH2:31][N:32]([CH3:38])[CH2:33][CH2:34]3)[CH2:27]1)[n:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([O:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 712FormaldehydeHCID 923Sodium ionHCID 63651,1-DichloroethaneHCID 2724942TriacetoxyborohydrideHCID 223472734-(3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-azetanylmethyl)-4-piperidinol

Product 1

HCID 223470314-(3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-azetanylmethyl)-1-methyl-4-piperidinol

Sources & evidence

ORD record
ord-91b37c422a784d1690b70a1598c2b464
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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