Acetic Acid → HCID 178518623, compound

HRID 171314Notes

Reaction equation

HRID 171314 reaction equation
[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[CH3:59][C:60](=[O:61])[OH:62].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[Na+:58].[O:1]=[C:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH:14][S:15](=[O:16])(=[O:17])[c:18]3[s:19][c:20](-[c:23]4[n:24][cH:25][cH:26][cH:27][cH:28]4)[cH:21][cH:22]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1.[OH:29][CH:30]([CH2:31][O:32][c:33]1[cH:34][cH:35][cH:36][c:37]2[nH:38][c:39](=[O:42])[nH:40][c:41]12)[CH2:43][NH2:44]>>[CH:2]1([NH:44][CH2:43][CH:30]([OH:29])[CH2:31][O:32][c:33]2[cH:34][cH:35][cH:36][c:37]3[nH:38][c:39](=[O:42])[nH:40][c:41]23)[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH:14][S:15](=[O:16])(=[O:17])[c:18]3[s:19][c:20](-[c:23]4[n:24][cH:25][cH:26][cH:27][cH:28]4)[cH:21][cH:22]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 2724942TriacetoxyborohydrideHCID 158962374-(3-Amino-2-hydroxypropoxy)-1,3-dihydrobenzimidazol-2-oneHCID 865845695-Pyridin-2-yl-thiophene-2-sulfonic acid [4-(4-oxo-piperidin-1-yl)-phenyl]-amide

Product 1

HCID 178518623HCID 178518623, compound

Sources & evidence

ORD record
ord-b448745980334e96917e5f1c73bd9da1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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