1,2-Dichloroethane → 1-[1-(1-methyl-4-piperidyl)tetrahydro-1H-3-pyrrolyl]-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HRID 1124471Notes

Reaction equation

HRID 1124471 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[C:55](=[O:56])([OH:57])[O-:58].[CH3:29][N:30]1[CH2:31][CH2:32][C:33](=[O:36])[CH2:34][CH2:35]1.[CH3:51][C:52](=[O:53])[OH:54].[Cl:60][CH2:61][CH2:62][Cl:63].[Na+:50].[Na+:59].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][n:16]([CH:24]3[CH2:25][NH:26][CH2:27][CH2:28]3)[c:17]3[n:18][cH:19][n:20][c:21]([NH2:23])[c:22]23)[cH:12][cH:13]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][n:16]([CH:24]3[CH2:25][N:26]([CH:33]4[CH2:32][CH2:31][N:30]([CH3:29])[CH2:35][CH2:34]4)[CH2:27][CH2:28]3)[c:17]3[n:18][cH:19][n:20][c:21]([NH2:23])[c:22]23)[cH:12][cH:13]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 740491-Methyl-4-piperidoneHCID 2724942TriacetoxyborohydrideHCID 22346899HCID 22346899, compound

Product 1

HCID 223470641-[1-(1-methyl-4-piperidyl)tetrahydro-1H-3-pyrrolyl]-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-767cd6a9e9554d46ac7ff158fa1f05bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…