Acetic Acid → HCID 11628613, compound

HRID 192885Notes

Reaction equation

HRID 192885 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[cH:16][cH:17][cH:18][c:19]3[cH:20][c:21]([C:25]([NH:26][c:27]4[c:28]([O:42][CH3:43])[c:29]([NH:37][S:38](=[O:39])(=[O:40])[CH3:41])[cH:30][c:31]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:32]4)=[O:44])[n:22]([CH3:24])[c:23]23)[CH2:12][CH2:13]1.[C:49]([O:50][BH-:51]([O:52][C:53](=[O:54])[CH3:55])[O:56][C:57](=[O:58])[CH3:59])(=[O:60])[CH3:61].[CH3:45][C:46](=[O:47])[OH:48].[Cl:63][CH:64]([Cl:65])[CH3:66].[Na+:62]>>[CH2:1]([CH3:2])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[cH:16][cH:17][cH:18][c:19]3[cH:20][c:21]([C:25]([NH:26][c:27]4[c:28]([O:42][CH3:43])[c:29]([NH:37][S:38](=[O:39])(=[O:40])[CH3:41])[cH:30][c:31]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:32]4)=[O:44])[n:22]([CH3:24])[c:23]23)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 63651,1-DichloroethaneHCID 2724942TriacetoxyborohydrideHCID 11563567HCID 11563567, compound

Product 1

HCID 11628613HCID 11628613, compound

Sources & evidence

ORD record
ord-511fcc6b885845b5b619680916a2a10c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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