Acetic Acid → HCID 23502756, compound

HRID 104286Notes

Reaction equation

HRID 104286 reaction equation
[B-:42]([F:43])([F:44])([F:45])[F:46].[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:38][C:39]([OH:40])=[O:41].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[F:1][c:2]1[c:3]([CH2:9][CH2:10][CH2:11][NH:12][CH:13]([CH2:14][N:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:21]2[c:22]([CH3:28])[cH:23][cH:24][cH:25][c:26]2[CH3:27])[c:4]([F:8])[cH:5][cH:6][cH:7]1.[Na+:68].[O-:64][C:65]([OH:66])=[O:67].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[F:1][c:2]1[c:3]([CH2:9][CH2:10][CH2:11][N:12]([CH:13]([CH2:14][N:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:21]2[c:22]([CH3:28])[cH:23][cH:24][cH:25][c:26]2[CH3:27])[C:39]([CH3:38])=[O:40])[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 23502703HCID 23502703, compound

Product 1

HCID 23502756HCID 23502756, compound

Sources & evidence

ORD record
ord-2b0cebc614ac4d61a9a0c10b55c90d7b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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