Hydrochloric Acid → Ethyl 3-(4-(cyclobutyl(hydroxy)methyl)benzamido)propanoate

HRID 319342Notes

Reaction equation

HRID 319342 reaction equation
[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[CH:1]1([CH:5]([c:6]2[cH:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]2)[OH:15])[CH2:2][CH2:3][CH2:4]1.[CH:49]([N:50]([CH:51]([CH3:52])[CH3:53])[CH2:54][CH3:55])([CH3:56])[CH3:57].[ClH:16].[NH2:17][CH2:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH:1]1([CH:5]([c:6]2[cH:7][cH:8][c:9]([C:10](=[O:12])[NH:17][CH2:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:13][cH:14]2)[OH:15])[CH2:2][CH2:3][CH2:4]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 419889Ethyl 3-aminopropanoateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 681568354-(Cyclobutyl(hydroxy)methyl)benzoic acid

Product 1

HCID 68156469Ethyl 3-(4-(cyclobutyl(hydroxy)methyl)benzamido)propanoate

Sources & evidence

ORD record
ord-6bcbddfa89054d5f9d25b4e78e8cb9a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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