Bicarbonate Ion → Tert-butyl 3-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate

HRID 2130090Notes

Reaction equation

HRID 2130090 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH3:32][n:33]1[n:34][cH:35][c:36]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[cH:37]1.[CH3:58][O:59][CH2:60][CH2:61][O:62][CH3:63].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([NH:16][CH:17]4[CH2:18][N:19]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:20][CH2:21][CH2:22]4)[s:15]3)[cH:30][cH:31]2)[cH:7]1.[Na+:51].[Na+:52].[Na+:57].[O-:53][C:54]([OH:55])=[O:56]>>[c:2]1(-[c:36]2[cH:35][n:34][n:33]([CH3:32])[cH:37]2)[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([NH:16][CH:17]4[CH2:18][N:19]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:20][CH2:21][CH2:22]4)[s:15]3)[cH:30][cH:31]2)[cH:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 87421241Tert-butyl 3-[[6-[(2-chloro-4-pyridinyl)oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate

Product 1

HCID 87421254Tert-butyl 3-[[6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-e44924cb95c14b3b83a846e01fab12fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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