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

HRID 210990Notes

Reaction equation

HRID 210990 reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[C:54](=[O:55])([OH:56])[O-:57].[CH3:50][C:51](=[O:52])[OH:53].[Cl:59][CH2:60][CH2:61][Cl:62].[Na+:49].[Na+:58].[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.[nH:29]1[c:30]([CH:34]=[O:35])[n:31][cH:32][cH:33]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]([CH2:34][c:30]4[nH:29][cH:33][cH:32][n:31]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 249551H-imidazole-2-carbaldehydeHCID 2724942TriacetoxyborohydrideHCID 22346899HCID 22346899, compound

Product 1

HCID 223470801-[1-(1H-2-imidazolylmethyl)tetrahydro-1H-3-pyrrolyl]-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-358fa889fd564b8485ac9886724ecb4c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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