Potassium Cation → 2-(2-Chloro-pyridin-4-yl)-3-{2-chloro-4-[3-(1-trityl-(1H)-tetrazol-5-yl)-propoxy]-phenyl}-1,1,1-trifluoro-butan-2-ol

HRID 169694Notes

Reaction equation

HRID 169694 reaction equation
[CH3:59][N:60]1[CH2:61][CH2:62][CH2:63][C:64]1=[O:65].[Cl:35][c:36]1[cH:37][c:38]([OH:57])[cH:39][cH:40][c:41]1[CH:42]([C:43]([C:44]([F:45])([F:46])[F:47])([OH:48])[c:49]1[cH:50][c:51]([Cl:55])[n:52][cH:53][cH:54]1)[CH3:56].[Cl:7][CH2:8][CH2:9][CH2:10][c:11]1[n:12][n:13][n:14][n:15]1[C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[K+:1].[K+:2].[O-:3][C:4]([O-:5])=[O:6].[OH2:58]>>[CH2:8]([CH2:9][CH2:10][c:11]1[n:12][n:13][n:14][n:15]1[C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[O:57][c:38]1[cH:37][c:36]([Cl:35])[c:41]([CH:42]([C:43]([C:44]([F:45])([F:46])[F:47])([OH:48])[c:49]2[cH:50][c:51]([Cl:55])[n:52][cH:53][cH:54]2)[CH3:56])[cH:40][cH:39]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 574212643-Chloro-4-[2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenolHCID 574213395-(3-chloropropyl)-1-(triphenylmethyl)-1H-tetrazole

Product 1

HCID 574499702-(2-Chloro-pyridin-4-yl)-3-{2-chloro-4-[3-(1-trityl-(1H)-tetrazol-5-yl)-propoxy]-phenyl}-1,1,1-trifluoro-butan-2-ol

Sources & evidence

ORD record
ord-e2f50df424d5482bb9d82bcdce4a7e34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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