Acetic Acid → HCID 57670737, compound

HRID 304660Notes

Reaction equation

HRID 304660 reaction equation
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[CH2:1]1[N:2]([CH2:9][c:10]2[cH:11][cH:12][c:13]([O:14][c:15]3[s:16][c:17]4[c:18]([n:19]3)[cH:20][cH:21][cH:22][cH:23]4)[cH:24][cH:25]2)[CH2:3][CH:4]2[CH:5]1[CH2:6][NH:7][CH2:8]2.[CH3:26][O:27][C:28]([c:29]1[cH:30][cH:31][c:32]([CH:35]=[O:36])[cH:33][cH:34]1)=[O:37].[CH3:38][C:39](=[O:40])[OH:41].[Cl:56][CH2:57][Cl:58].[Na+:55]>>[CH2:1]1[N:2]([CH2:9][c:10]2[cH:11][cH:12][c:13]([O:14][c:15]3[s:16][c:17]4[c:18]([n:19]3)[cH:20][cH:21][cH:22][cH:23]4)[cH:24][cH:25]2)[CH2:3][CH:4]2[CH:5]1[CH2:6][N:7]([CH2:35][c:32]1[cH:31][cH:30][c:29]([C:28]([O:27][CH3:26])=[O:37])[cH:34][cH:33]1)[CH2:8]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 15294Methyl 4-FormylbenzoateHCID 2724942TriacetoxyborohydrideHCID 42599086HCID 42599086, compound

Product 1

HCID 57670737HCID 57670737, compound

Sources & evidence

ORD record
ord-f486a25d70134143a83866af99ac4d78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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