Acetic Acid → HCID 178430430, compound

HRID 2315706Notes

Reaction equation

HRID 2315706 reaction equation
[C:40]([BH3-:41])#[N:42].[CH3:1][CH:2]1[CH2:3][N:4]([CH2:9][c:10]2[cH:11][n:12][c:13](-[c:15]3[c:16]([N:21]4[CH2:22][CH2:23][C:24](=[O:27])[CH2:25][CH2:26]4)[n:17][cH:18][cH:19][cH:20]3)[s:14]2)[CH2:5][CH:6]([CH3:8])[NH:7]1.[CH3:36][C:37](=[O:38])[OH:39].[CH3:44][OH:45].[NH2:28][c:29]1[cH:30][cH:31][c:32]([F:33])[cH:34][cH:35]1.[Na+:43]>>[CH3:1][CH:2]1[CH2:3][N:4]([CH2:9][c:10]2[cH:11][n:12][c:13](-[c:15]3[c:16]([N:21]4[CH2:22][CH2:23][CH:24]([NH:28][c:29]5[cH:30][cH:31][c:32]([F:33])[cH:34][cH:35]5)[CH2:25][CH2:26]4)[n:17][cH:18][cH:19][cH:20]3)[s:14]2)[CH2:5][CH:6]([CH3:8])[NH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 97314-FluoroanilineHCID 498716Cyano-borohydrideHCID 178430431HCID 178430431, compound

Product 1

HCID 178430430HCID 178430430, compound

Sources & evidence

ORD record
ord-250f221b37564a6b8f297630877a59d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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