Pyrrolidone carboxylic acid → HCID 178463449, compound

HRID 696913Notes

Reaction equation

HRID 696913 reaction equation
[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[Cl:76][CH2:77][Cl:78].[NH2:1][CH2:2][c:3]1[c:4]([NH:19][CH:20]([CH3:21])[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[n:5][c:6]([NH:10][c:11]2[n:12][nH:13][c:14]([CH:16]3[CH2:17][CH2:18]3)[cH:15]2)[c:7]([F:9])[cH:8]1.[O:53]=[C:54]1[CH2:55][CH2:56][CH:57]([C:59](=[O:60])[OH:61])[NH:58]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[NH:1]([CH2:2][c:3]1[c:4]([NH:19][CH:20]([CH3:21])[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[n:5][c:6]([NH:10][c:11]2[n:12][nH:13][c:14]([CH:16]3[CH2:17][CH2:18]3)[cH:15]2)[c:7]([F:9])[cH:8]1)[C:59]([CH:57]1[CH2:56][CH2:55][C:54](=[O:53])[NH:58]1)=[O:60]

Participants

8

Reactant 7

HCID 499Pyrrolidone carboxylic acidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 674549953-(aminomethyl)-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[1-(4-fluorophenyl)ethyl]pyridine-2,6-diamine

Product 1

HCID 178463449HCID 178463449, compound

Sources & evidence

ORD record
ord-b5c261306e18485b9a4e9eb5ff071672
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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