Acetic Acid → HCID 25262352, compound

HRID 679239Notes

Reaction equation

HRID 679239 reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:29][N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1.[CH3:50][C:51](=[O:52])[OH:53].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[Cl:54][CH2:55][Cl:56].[Na+:49].[n:1]1(-[c:6]2[cH:7][c:8](-[c:12]3[cH:13][n:14][c:15]4[n:16]3[cH:17][cH:18][c:19](-[c:21]3[cH:22][c:23]([CH:24]=[O:25])[cH:26][cH:27][cH:28]3)[cH:20]4)[cH:9][cH:10][cH:11]2)[n:2][cH:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[cH:7][c:8](-[c:12]3[cH:13][n:14][c:15]4[n:16]3[cH:17][cH:18][c:19](-[c:21]3[cH:22][c:23]([CH2:24][N:33]5[CH2:32][CH2:31][N:30]([CH3:29])[CH2:35][CH2:34]5)[cH:26][cH:27][cH:28]3)[cH:20]4)[cH:9][cH:10][cH:11]2)[n:2][cH:3][cH:4][cH:5]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 531671-MethylpiperazineHCID 2724942TriacetoxyborohydrideHCID 25262649HCID 25262649, compound

Product 1

HCID 25262352HCID 25262352, compound

Sources & evidence

ORD record
ord-10b69c0b065d4693b8355614259f8a06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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