Acetone → 4-(4-(4-(6-(Tert-butoxycarbonylamino)hexyloxy)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoic acid

HRID 2337529Notes

Reaction equation

HRID 2337529 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][O:15][c:16]1[cH:17][cH:18][c:19]([CH2:20][NH:21][c:22]2[n:23][c:24]([NH:34][c:35]3[cH:36][cH:37][c:38]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[cH:44][cH:45]3)[n:25][c:26]([O:28][CH2:29][C:30]([F:31])([F:32])[F:33])[n:27]2)[cH:46][cH:47]1.[CH3:55][C:56](=[O:57])[CH3:58].[ClH:54].[K+:48].[K+:49].[O-:50][C:51]([O-:52])=[O:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][O:15][c:16]1[cH:17][cH:18][c:19]([CH2:20][NH:21][c:22]2[n:23][c:24]([NH:34][c:35]3[cH:36][cH:37][c:38]([C:39](=[O:40])[OH:41])[cH:44][cH:45]3)[n:25][c:26]([O:28][CH2:29][C:30]([F:31])([F:32])[F:33])[n:27]2)[cH:46][cH:47]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 67074144HCID 67074144, compound

Product 1

HCID 670742404-(4-(4-(6-(Tert-butoxycarbonylamino)hexyloxy)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoic acid

Sources & evidence

ORD record
ord-3ca96837e6fe442887350f942c2405e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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