Acetic Acid → HCID 66712082, compound

HRID 1128323Notes

Reaction equation

HRID 1128323 reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH3:54][C:55](=[O:56])[OH:57].[CH3:8][O:9][c:10]1[c:11](-[c:16]2[cH:17][cH:18][c:19]3[cH:20][n:21][c:22]([NH:25][c:26]4[c:27]([O:38][CH3:39])[cH:28][c:29]([CH:32]5[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]5)[cH:30][cH:31]4)[n:23][n:24]23)[cH:12][cH:13][cH:14][cH:15]1.[Na+:53].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[nH:1]1[c:2]([CH:6]=[O:7])[n:3][cH:4][cH:5]1>>[n:1]1[c:2]([CH2:6][N:35]2[CH2:34][CH2:33][CH:32]([c:29]3[cH:28][c:27]([O:38][CH3:39])[c:26]([NH:25][c:22]4[n:21][cH:20][c:19]5[cH:18][cH:17][c:16](-[c:11]6[c:10]([O:9][CH3:8])[cH:15][cH:14][cH:13][cH:12]6)[n:24]5[n:23]4)[cH:31][cH:30]3)[CH2:37][CH2:36]2)[nH:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 249551H-imidazole-2-carbaldehydeHCID 2724942TriacetoxyborohydrideHCID 66711490HCID 66711490, compound

Product 1

HCID 66712082HCID 66712082, compound

Sources & evidence

ORD record
ord-001fac994b8d4d55adaf9dcdc2a91565
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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