Acetic Acid → HCID 178421199, compound

HRID 120081Notes

Reaction equation

HRID 120081 reaction equation
[C:34]([BH3-:35])#[N:36].[CH3:10][C:11]12[CH:12]([NH2:29])[CH2:13][CH2:14][CH:15]1[CH:16]1[CH2:17][CH2:18][CH:19]3[CH2:20][CH2:21][CH2:22][CH2:23][C:24]3([CH3:25])[CH:26]1[CH2:27][CH2:28]2.[CH3:30][C:31](=[O:32])[OH:33].[CH3:38][OH:39].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9]1.[Na+:37].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:29][CH:12]2[C:11]3([CH3:10])[CH:15]([CH2:14][CH2:13]2)[CH:16]2[CH2:17][CH2:18][CH:19]4[CH2:20][CH2:21][CH2:22][CH2:23][C:24]4([CH3:25])[CH:26]2[CH2:27][CH2:28]3)[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 77264-ChlorobenzaldehydeHCID 8028TetrahydrofuranHCID 498716Cyano-borohydrideHCID 545067HCID 545067, compound

Product 1

HCID 178421199HCID 178421199, compound

Sources & evidence

ORD record
ord-e7d37418d274405dbf3066f02211a6a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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