Acetic Acid → HCID 67337523, compound

HRID 2127061Notes

Reaction equation

HRID 2127061 reaction equation
[C:39]([BH3-:40])#[N:41].[C:45]([OH:46])(=[O:47])[CH3:48].[CH2:37]=[O:38].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7](-[c:11]2[cH:12][cH:13][c:14](-[n:17]3[c:18](-[c:27]4[c:28]([C:33]([F:34])([F:35])[F:36])[cH:29][cH:30][cH:31][cH:32]4)[n:19][c:20]([CH:22]4[NH:23][CH2:24][CH2:25][CH2:26]4)[cH:21]3)[cH:15][cH:16]2)[cH:8][cH:9][cH:10]1.[CH3:43][OH:44].[Na+:42]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7](-[c:11]2[cH:12][cH:13][c:14](-[n:17]3[c:18](-[c:27]4[c:28]([C:33]([F:34])([F:35])[F:36])[cH:29][cH:30][cH:31][cH:32]4)[n:19][c:20]([CH:22]4[N:23]([CH3:39])[CH2:24][CH2:25][CH2:26]4)[cH:21]3)[cH:15][cH:16]2)[cH:8][cH:9][cH:10]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 67336697HCID 67336697, compound

Product 1

HCID 67337523HCID 67337523, compound

Sources & evidence

ORD record
ord-e3d07dbce0914ff999a9e25ad67e84a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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