Acetic Acid → HCID 11270218, compound

HRID 1567206Notes

Reaction equation

HRID 1567206 reaction equation
[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[CH3:49][C:50](=[O:51])[OH:52].[Cl:23][c:24]1[c:25]([CH:26]=[O:27])[cH:28][cH:29][cH:30][cH:31]1.[Cl:46][CH2:47][Cl:48].[N:1]1([c:8]2[n:9][c:10]3[n:11]([c:12]([NH2:14])[n:13]2)[n:15][c:16](-[c:18]2[o:19][cH:20][cH:21][cH:22]2)[n:17]3)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1.[Na+:45]>>[N:1]1([c:8]2[n:9][c:10]3[n:11]([c:12]([NH2:14])[n:13]2)[n:15][c:16](-[c:18]2[o:19][cH:20][cH:21][cH:22]2)[n:17]3)[CH2:2][CH2:3][N:4]([CH2:26][c:25]2[c:24]([Cl:23])[cH:31][cH:30][cH:29][cH:28]2)[CH2:5][CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 69962-ChlorobenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 69431799HCID 69431799, compound

Product 1

HCID 11270218HCID 11270218, compound

Sources & evidence

ORD record
ord-1b852bfb327146cab5da610dd0a3d196
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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