Dimethylformamide → ethyl 3-[4-[[2-[4-methoxy-2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]butanoate

HRID 178827Notes

Reaction equation

HRID 178827 reaction equation
[CH3:25][O:26][c:27]1[cH:28][c:29]([CH2:44][C:45](=[O:46])[OH:47])[cH:30][c:31]2[c:32]1[n:33][c:34]([NH:36][c:37]1[c:38]([CH3:43])[cH:39][cH:40][cH:41][cH:42]1)[o:35]2.[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[CH:16]([N:17]([CH:18]([CH3:19])[CH3:20])[CH2:21][CH3:22])([CH3:23])[CH3:24].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH3:15])[cH:6][cH:7]1.[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[n:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH3:15])[cH:6][cH:7]1)[C:45]([CH2:44][c:29]1[cH:28][c:27]([O:26][CH3:25])[c:32]2[c:31]([cH:30]1)[o:35][c:34]([NH:36][c:37]1[c:38]([CH3:43])[cH:39][cH:40][cH:41][cH:42]1)[n:33]2)=[O:46]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 181881002-(4-Methoxy-2-o-tolylaminobenzoxazol-6-yl)acetic acidHCID 69526732Ethyl 3-(4-aminophenyl)butanoate

Product 1

HCID 178471263ethyl 3-[4-[[2-[4-methoxy-2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]butanoate

Sources & evidence

ORD record
ord-736f9bfd680441dfb094eb7967e18480
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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