Acetic Acid → HCID 58508852, compound

HRID 696035Notes

Reaction equation

HRID 696035 reaction equation
[C:7]([O:8][BH-:9]([O:10][C:11](=[O:12])[CH3:13])[O:14][C:15](=[O:16])[CH3:17])(=[O:18])[CH3:19].[CH2:1]=[O:2].[CH2:56]([Cl:57])[Cl:58].[CH3:3][C:4](=[O:5])[OH:6].[Na+:20].[OH:21][c:22]1[c:23]([C:24](=[O:25])[NH:26][c:27]2[c:28]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:36][cH:37][c:38](-[c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[cH:39]2)[cH:46][c:47]([CH:50]2[NH:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[cH:48][cH:49]1>>[CH3:3][N:51]1[CH:50]([c:47]2[cH:46][c:23]([C:24](=[O:25])[NH:26][c:27]3[c:28]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:36][cH:37][c:38](-[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[cH:39]3)[c:22]([OH:21])[cH:49][cH:48]2)[CH2:55][CH2:54][CH2:53][CH2:52]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 58508516HCID 58508516, compound

Product 1

HCID 58508852HCID 58508852, compound

Sources & evidence

ORD record
ord-3e6df5ee97674cc090d7e7aff4f776ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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