Acetate → HCID 178480461, compound

HRID 1550343Notes

Reaction equation

HRID 1550343 reaction equation
[C:45]([BH3-:46])#[N:47].[CH2:49]=[O:50].[CH3:36][C:37](=[O:38])[OH:39].[CH3:41][C:42](=[O:43])[O-:44].[Cl:1][c:2]1[c:3]([NH:17][c:18]2[n:19][cH:20][c:21]3[c:27]([n:28]2)[N:26]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:25][CH2:24][C:23](=[O:34])[N:22]3[CH3:35])[cH:4][c:5]([F:16])[c:6]([C:7](=[O:8])[NH:9][CH:10]2[CH2:11][NH:12][CH2:13][CH2:14]2)[cH:15]1.[Na+:40].[Na+:48]>>[Cl:1][c:2]1[c:3]([NH:17][c:18]2[n:19][cH:20][c:21]3[c:27]([n:28]2)[N:26]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:25][CH2:24][C:23](=[O:34])[N:22]3[CH3:35])[cH:4][c:5]([F:16])[c:6]([C:7](=[O:8])[NH:9][CH:10]2[CH2:11][N:12]([CH3:36])[CH2:13][CH2:14]2)[cH:15]1

Participants

7

Reactant 6

HCID 175AcetateHCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ion2×HCID 498716Cyano-borohydrideHCID 178481532HCID 178481532, compound

Product 1

HCID 178480461HCID 178480461, compound

Sources & evidence

ORD record
ord-cff11322857544cb99a20fddfd9eccd8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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