Sodium ion → tert-butyl N-(4-{4-amino-1-[1-(1H-2-imidazolylmethyl)-4-piperidyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)carbamate

HRID 2128170Notes

Reaction equation

HRID 2128170 reaction equation
[CH3:24][O:25][c:26]1[c:27]([NH:41][C:42]([O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48])[cH:28][cH:29][c:30]([B:32]2[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]2)[cH:31]1.[CH3:55][O:56][CH2:57][CH2:58][O:59][CH3:60].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[OH2:61].[nH:1]1[c:2]([CH2:6][N:7]2[CH2:8][CH2:9][CH:10]([n:13]3[n:14][c:15]([I:23])[c:16]4[c:17]3[n:18][cH:19][n:20][c:21]4[NH2:22])[CH2:11][CH2:12]2)[n:3][cH:4][cH:5]1>>[n:1]1[c:2]([CH2:6][N:7]2[CH2:8][CH2:9][CH:10]([n:13]3[n:14][c:15](-[c:30]4[cH:29][cH:28][c:27]([NH:41][C:42]([O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48])[c:26]([O:25][CH3:24])[cH:31]4)[c:16]4[c:17]3[n:18][cH:19][n:20][c:21]4[NH2:22])[CH2:11][CH2:12]2)[nH:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 177502214-(tert-Butoxycarbonylamino)-3-methoxyphenylboronic acid, pinacol esterHCID 223466771-[1-(1H-2-imidazolylmethyl)-4-piperidyl]-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Product 1

HCID 22347020tert-butyl N-(4-{4-amino-1-[1-(1H-2-imidazolylmethyl)-4-piperidyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)carbamate

Sources & evidence

ORD record
ord-85d23b4e5aae44de8319dc3172a887bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…