Hydrochloric Acid → (4-{4-[5-(4-tert-Butylphenyl)-4-methyl-4H-[1,2,4}-triazol-3-ylsulfanyl]-2-heptyloxybenzylamino}phenyl)acetic acid

HRID 1571942Notes

Reaction equation

HRID 1571942 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH2:1]([CH3:2])[CH:3]([C:4](=[O:5])[O-:6])[c:7]1[cH:8][cH:9][c:10]([NH:13][CH2:14][c:15]2[c:16]([O:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45])[cH:17][c:18]([S:21][c:22]3[n:23][n:24][c:25](-[c:28]4[cH:29][cH:30][c:31]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:32][cH:33]4)[n:26]3[CH3:27])[cH:19][cH:20]2)[cH:11][cH:12]1.[CH3:53][OH:54].[ClH:52].[K+:50].[K+:51]>>[CH2:3]([C:4](=[O:5])[OH:6])[c:7]1[cH:8][cH:9][c:10]([NH:13][CH2:14][c:15]2[c:16]([O:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45])[cH:17][c:18]([S:21][c:22]3[n:23][n:24][c:25](-[c:28]4[cH:29][cH:30][c:31]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:32][cH:33]4)[n:26]3[CH3:27])[cH:19][cH:20]2)[cH:11][cH:12]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 887MethanolHCID 19660Carbonate IonHCID 178444064HCID 178444064, compound

Product 1

HCID 11157700(4-{4-[5-(4-tert-Butylphenyl)-4-methyl-4H-[1,2,4}-triazol-3-ylsulfanyl]-2-heptyloxybenzylamino}phenyl)acetic acid

Sources & evidence

ORD record
ord-cf7eb4c2c3584a73a3c63cfc8f32b3fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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