Potassium Cation → 3-[4-(6-Amino-5-benzothiazol-2-ylpyridin-3-yl)-pyrazol-1-yl]-azetidine-1-carboxylic acid tert-butyl ester

HRID 1121506Notes

Reaction equation

HRID 1121506 reaction equation
[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[N:33]1[CH2:34][CH:35]([n:37]2[n:38][cH:39][c:40]([I:42])[cH:41]2)[CH2:36]1.[C:43](=[O:44])([O-:45])[O-:46].[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[K+:47].[K+:48].[OH2:55].[s:1]1[c:2](-[c:10]2[c:11]([NH2:25])[n:12][cH:13][c:14]([B:16]3[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]3)[cH:15]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2](-[c:10]2[c:11]([NH2:25])[n:12][cH:13][c:14](-[c:40]3[cH:39][n:38][n:37]([CH:35]4[CH2:34][N:33]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[CH2:36]4)[cH:41]3)[cH:15]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 574165133-(1,3-Benzothiazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amineHCID 58431448tert-butyl 3-(4-iodo-1H-pyrazol-1-yl)azetidine-1-carboxylate

Product 1

HCID 675207313-[4-(6-Amino-5-benzothiazol-2-ylpyridin-3-yl)-pyrazol-1-yl]-azetidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-40afb5deca3d40258c21cb3419b7664f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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