Acetic Acid → HCID 23437978, compound

HRID 109677Notes

Reaction equation

HRID 109677 reaction equation
[C:41]([BH3-:42])#[N:43].[CH3:45][C:46](=[O:47])[OH:48].[CH3:49][C:50](=[O:51])[CH3:52].[Cl:1][c:2]1[cH:3][c:4]([NH:15][c:16]2[c:17]([C:39]#[N:40])[cH:18][n:19][c:20]3[cH:21][c:22](-[c:26]4[cH:27][cH:28][c:29]([CH2:32][N:33]5[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]5)[cH:30][cH:31]4)[cH:23][cH:24][c:25]23)[cH:5][cH:6][c:7]1[S:8][c:9]1[n:10]([CH3:14])[cH:11][cH:12][n:13]1.[Na+:44]>>[Cl:1][c:2]1[cH:3][c:4]([NH:15][c:16]2[c:17]([C:39]#[N:40])[cH:18][n:19][c:20]3[cH:21][c:22](-[c:26]4[cH:27][cH:28][c:29]([CH2:32][N:33]5[CH2:34][CH2:35][N:36]([CH:46]([CH3:41])[CH3:45])[CH2:37][CH2:38]5)[cH:30][cH:31]4)[cH:23][cH:24][c:25]23)[cH:5][cH:6][c:7]1[S:8][c:9]1[n:10]([CH3:14])[cH:11][cH:12][n:13]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 180AcetoneHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 23438154HCID 23438154, compound

Product 1

HCID 23437978HCID 23437978, compound

Sources & evidence

ORD record
ord-a5e337446adc4393bc641e20951709e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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