Acetic Acid → HCID 21906434, compound

HRID 182300Notes

Reaction equation

HRID 182300 reaction equation
[C:25]([CH3:26])(=[O:27])[c:28]1[cH:29][cH:30][n:31][cH:32][cH:33]1.[C:34]([BH3-:35])#[N:36].[C:38]([OH:39])(=[O:40])[CH3:41].[CH3:42][OH:43].[CH3:49][OH:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([c:10]2[c:11]([NH:16][CH2:17][CH:18]3[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]3)[cH:12][cH:13][cH:14][cH:15]2)=[O:24])[n:6][cH:7]1.[Na+:37].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([c:10]2[c:11]([NH:16][CH2:17][CH:18]3[CH2:19][CH2:20][N:21]([CH:25]([CH3:26])[c:28]4[cH:29][cH:30][n:31][cH:32][cH:33]4)[CH2:22][CH2:23]3)[cH:12][cH:13][cH:14][cH:15]2)=[O:24])[n:6][cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887Methanol2×HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 142824-AcetylpyridineHCID 498716Cyano-borohydrideHCID 21906555HCID 21906555, compound

Product 1

HCID 21906434HCID 21906434, compound

Sources & evidence

ORD record
ord-c776eebe9e94432cb96cccaca5b22549
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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