Acetic Acid → HCID 178516843, compound

HRID 2133638Notes

Reaction equation

HRID 2133638 reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH3:1][C:2](=[O:3])[OH:4].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[NH2:5][CH2:6][CH:7]([CH2:8][O:9][c:10]1[cH:11][cH:12][cH:13][c:14]2[nH:15][c:16](=[O:19])[nH:17][c:18]12)[OH:20].[Na+:57].[O:21]=[C:22]1[CH2:23][CH2:24][N:25]([c:28]2[cH:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[N:37]3[C:38](=[O:43])[NH:39][C:40](=[O:42])[CH2:41]3)[cH:32][cH:33]2)[CH2:26][CH2:27]1>>[NH:5]([CH2:6][CH:7]([CH2:8][O:9][c:10]1[cH:11][cH:12][cH:13][c:14]2[nH:15][c:16](=[O:19])[nH:17][c:18]12)[OH:20])[CH:22]1[CH2:23][CH2:24][N:25]([c:28]2[cH:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[N:37]3[C:38](=[O:43])[NH:39][C:40](=[O:42])[CH2:41]3)[cH:32][cH:33]2)[CH2:26][CH2:27]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 2724942TriacetoxyborohydrideHCID 158962374-(3-Amino-2-hydroxypropoxy)-1,3-dihydrobenzimidazol-2-oneHCID 227133341-[[4-(4-Oxo-1-piperidinyl)phenyl]sulfonyl]-2,4-imidazolidinedione

Product 1

HCID 178516843HCID 178516843, compound

Sources & evidence

ORD record
ord-0ab3794476754a6c8eb1c82abd3e38d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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