Dimethylformamide → 3-(Butyl(methyl)carbamoyl)benzoic acid

HRID 206133Notes

Reaction equation

HRID 206133 reaction equation
[C:1]([O:2][C:3]([N:4]1[CH2:5][CH:6]([OH:7])[CH2:8][CH:9]1[C:10]([OH:11])=[O:12])=[O:13])([CH3:14])([CH3:15])[CH3:16].[CH2:17]([CH2:18][CH2:19][CH3:20])[N:21]([C:22](=[O:23])[c:24]1[cH:25][c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32][cH:33]1)[CH3:34].[CH3:35][O:36][C:37]([c:38]1[cH:39][c:40]([C:44]([OH:45])=[O:46])[cH:41][cH:42][cH:43]1)=[O:47].[CH3:81][NH:82][CH2:83][CH2:84][CH2:85][CH3:86].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[Cl:87][CH2:88][Cl:89].[O:90]=[CH:91][N:92]([CH3:93])[CH3:94].[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[n:64]1([O:65][C:66]([N:67]([CH3:68])[CH3:69])=[N+:70]([CH3:71])[CH3:72])[c:73]2[n:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1>>[CH2:17]([CH2:18][CH2:19][CH3:20])[N:21]([C:22](=[O:23])[c:24]1[cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:31][cH:32][cH:33]1)[CH3:34]

Participants

10

Reactant 9

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8068N-MethylbutylamineHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 3352551-((Tert-butoxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acidHCID 6018803-(Methoxycarbonyl)benzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67316285Methyl 3-(butyl(methyl)carbamoyl)benzoate

Product 1

HCID 434527753-(Butyl(methyl)carbamoyl)benzoic acid

Sources & evidence

ORD record
ord-409591165e5c4e9296c11b0328437c71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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