Acetic Acid → HCID 69065334, compound

HRID 2313809Notes

Reaction equation

HRID 2313809 reaction equation
[C:13]([O:14][BH-:15]([O:16][C:17](=[O:18])[CH3:19])[O:20][C:21](=[O:22])[CH3:23])(=[O:24])[CH3:25].[C:48]([OH:49])(=[O:50])[CH3:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:57][CH2:58][Cl:59].[N+:27](=[O:28])([O-:29])[c:30]1[cH:31][cH:32][cH:33][c:34]2[nH:35][c:36]([NH:39][CH2:40][CH:41]3[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]3)[n:37][c:38]12.[Na+:26].[OH2:47].[c:1]1([CH:11]=[O:12])[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:1]1([CH2:11][N:44]2[CH2:43][CH2:42][CH:41]([CH2:40][NH:39][c:36]3[nH:35][c:34]4[cH:33][cH:32][cH:31][c:30]([N+:27](=[O:28])[O-:29])[c:38]4[n:37]3)[CH2:46][CH2:45]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 61951-NaphthaldehydeHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 23068968HCID 23068968, compound

Product 1

HCID 69065334HCID 69065334, compound

Sources & evidence

ORD record
ord-3320e356f41c4e07ab7abd2581cca963
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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