Acetic Acid → HCID 22347152, compound

HRID 2324753Notes

Reaction equation

HRID 2324753 reaction equation
[Br:39][CH2:40][C:41]#[N:42].[C:43](=[O:44])([O-:45])[O-:46].[C:49]([OH:50])(=[O:51])[CH3:52].[CH3:59][C:60]#[N:61].[Cs+:47].[Cs+:48].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1)[n:9][c:10]2-[c:11]1[cH:12][c:13]([O:31][CH3:32])[c:14]([NH:17][C:18]([c:19]2[c:20]([F:29])[cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)=[O:30])[cH:15][cH:16]1.[NH3:53].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:33]1[CH2:34][CH2:35][N:36]([CH2:40][C:41]#[N:42])[CH2:37][CH2:38]1)[n:9][c:10]2-[c:11]1[cH:12][c:13]([O:31][CH3:32])[c:14]([NH:17][C:18]([c:19]2[c:20]([F:29])[cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)=[O:30])[cH:15][cH:16]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 222AmmoniaHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 11534BromoacetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 22346947HCID 22346947, compound

Product 1

HCID 22347152HCID 22347152, compound

Sources & evidence

ORD record
ord-27407d91a7684163adb08d1acbc08926
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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