Acetic Acid → HCID 178523152, compound

HRID 116820Notes

Reaction equation

HRID 116820 reaction equation
[C:52]([O:53][BH-:54]([O:55][C:56](=[O:57])[CH3:58])[O:59][C:60](=[O:61])[CH3:62])(=[O:63])[CH3:64].[CH3:48][C:49](=[O:50])[OH:51].[CH:40](=[O:41])[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Na+:65].[s:1]1[cH:2][n:3][cH:4][c:5]1[CH2:6][O:7][C:8](=[O:9])[NH:10][CH:11]([CH2:12][NH:13][CH2:14][CH:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[NH:23][C:24](=[O:25])[O:26][CH2:27][c:28]1[cH:29][n:30][cH:31][s:32]1)[CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[s:1]1[cH:2][n:3][cH:4][c:5]1[CH2:6][O:7][C:8](=[O:9])[NH:10][CH:11]([CH2:12][N:13]([CH2:14][CH:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[NH:23][C:24](=[O:25])[O:26][CH2:27][c:28]1[cH:29][n:30][cH:31][s:32]1)[CH2:40][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 240BenzaldehydeHCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 11853946HCID 11853946, compound

Product 1

HCID 178523152HCID 178523152, compound

Sources & evidence

ORD record
ord-a1224d68b86c412c891906f5dcf24940
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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