Acetic Acid → HCID 20298778, compound

HRID 288991Notes

Reaction equation

HRID 288991 reaction equation
[BH4-:37].[CH3:35][OH:36].[CH3:39][C:40](=[O:41])[OH:42].[Cl:3][c:4]1[c:5]([N+:32](=[O:33])[O-:34])[cH:6][c:7]([C:10]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:16][CH2:17]2)=[O:31])[cH:8][cH:9]1.[ClH:1].[ClH:2].[Na+:38].[OH2:43]>>[Cl:3][c:4]1[c:5]([N+:32](=[O:33])[O-:34])[cH:6][c:7]([CH:10]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:16][CH2:17]2)[OH:31])[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric Acid2×HCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 28123BorohydrideHCID 20298726HCID 20298726, compound

Product 1

HCID 20298778HCID 20298778, compound

Sources & evidence

ORD record
ord-939bf99b2c5e4323993749603ee4851e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…