Potassium Cation → 3-[4-(6-Amino-5-benzothiazol-2-ylpyridin-3-yl)-pyrazol-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester

HRID 2343208Notes

Reaction equation

HRID 2343208 reaction equation
[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:37][C:38](=[O:39])[O:40][CH2:41][CH3:42].[K+:31].[K+:32].[O-:33][C:34]([O-:35])=[O:36].[OH2:50].[s:1]1[c:2](-[c:10]2[c:11]([NH2:30])[n:12][cH:13][c:14](-[c:16]3[cH:17][n:18][n:19]([CH:21]4[CH2:22][CH:23]5[CH2:24][CH2:25][CH:26]([CH2:27]4)[N:28]5[CH3:29])[cH:20]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]([NH2:30])[n:12][cH:13][c:14](-[c:16]3[cH:17][n:18][n:19]([CH:21]4[CH2:22][CH:23]5[CH2:24][CH2:25][CH:26]([CH2:27]4)[N:28]5[C:38](=[O:39])[O:40][CH2:41][CH3:42])[cH:20]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 1140TolueneHCID 10928Ethyl chloroformateHCID 19660Carbonate IonHCID 441601393-benzothiazol-2-yl-5-[1-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-1H-pyrazol-4-yl]-pyridin-2-ylamine

Product 1

HCID 675211043-[4-(6-Amino-5-benzothiazol-2-ylpyridin-3-yl)-pyrazol-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-0247ca58773e44cb9a96911ee38476ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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