Acetic Acid → HCID 66936934, compound

HRID 1202448Notes

Reaction equation

HRID 1202448 reaction equation
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[CH3:30][C:31](=[O:32])[OH:33].[CH3:56][S:57]([CH3:58])=[O:59].[CH3:60][N:61]1[CH2:62][CH2:63][CH2:64][C:65]1=[O:66].[CH:34](=[O:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[F:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][c:7]2[cH:8][n:9][cH:10][c:11](-[c:13]3[cH:14][c:15]([NH:19][CH:20]4[CH2:21][CH2:22][CH:23]([NH2:26])[CH2:24][CH2:25]4)[n:16][cH:17][cH:18]3)[n:12]2)[cH:27][cH:28][cH:29]1.[Na+:55]>>[F:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][c:7]2[cH:8][n:9][cH:10][c:11](-[c:13]3[cH:14][c:15]([NH:19][CH:20]4[CH2:21][CH2:22][CH:23]([NH:26][CH2:34][c:36]5[cH:37][cH:38][cH:39][cH:40][cH:41]5)[CH2:24][CH2:25]4)[n:16][cH:17][cH:18]3)[n:12]2)[cH:27][cH:28][cH:29]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 240BenzaldehydeHCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 13387N-methyl-2-pyrrolidoneHCID 2724942TriacetoxyborohydrideHCID 66936915HCID 66936915, compound

Product 1

HCID 66936934HCID 66936934, compound

Sources & evidence

ORD record
ord-5e6402bfe2fa4d458d4ae88ec8af9bf5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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