Sodium ion → Tert-butyl 2-(2-methylpropyl)-4-[2-(1-tritylpyrazolo[5,4-b]pyridin-3-yl)-1,3-thiazol-4-yl]piperazine-1-carboxylate

HRID 2332121Notes

Reaction equation

HRID 2332121 reaction equation
[Br:1][c:2]1[n:3][c:4](-[c:7]2[n:8][n:9]([C:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:10]3[n:11][cH:12][cH:13][cH:14][c:15]23)[s:5][cH:6]1.[CH2:41]([CH:42]([CH3:43])[CH3:44])[CH:45]1[N:46]([C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[CH2:47][CH2:48][NH:49][CH2:50]1.[CH3:35][C:36]([CH3:37])([O-:38])[CH3:39].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH3:65][CH2:66][O:67][C:68]([CH3:69])=[O:70].[Na+:40]>>[c:2]1([N:49]2[CH2:48][CH2:47][N:46]([C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[CH:45]([CH2:41][CH:42]([CH3:43])[CH3:44])[CH2:50]2)[n:3][c:4](-[c:7]2[n:8][n:9]([C:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:10]3[n:11][cH:12][cH:13][cH:14][c:15]23)[s:5][cH:6]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 45749132-Methylpropan-2-olateHCID 45073240Tert-butyl 2-isobutylpiperazine-1-carboxylateHCID 681079193-(4-Bromothiazol-2-yl)-1-trityl-pyrazolo[5,4-b]pyridine

Product 1

HCID 68107651Tert-butyl 2-(2-methylpropyl)-4-[2-(1-tritylpyrazolo[5,4-b]pyridin-3-yl)-1,3-thiazol-4-yl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-a9b2f4e6d662401da94a2f1fbab3d406
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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