Acetic Acid → HCID 66630225, compound

HRID 2320887Notes

Reaction equation

HRID 2320887 reaction equation
[BH4-:26].[CH3:20][CH2:21][C:22]([CH2:23][CH3:24])=[O:25].[CH3:28][OH:29].[CH3:33][CH:34]([CH3:35])[O-:36].[CH3:38][CH:39]([CH3:40])[O-:41].[CH3:42][CH:43]([CH3:44])[O-:45].[CH3:46][CH:47]([CH3:48])[O-:49].[CH3:50][C:51](=[O:52])[OH:53].[Cl:30][CH2:31][Cl:32].[NH:1]1[CH2:2][CH2:3][C:4]2([CH2:5][CH2:6][CH:7]([NH:14][C:15]([CH3:16])=[O:17])[c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]32)[CH2:18][CH2:19]1.[Na+:27].[Ti+4:37]>>[N:1]1([CH:22]([CH2:21][CH3:20])[CH2:23][CH3:24])[CH2:2][CH2:3][C:4]2([CH2:5][CH2:6][CH:7]([NH:14][C:15]([CH3:16])=[O:17])[c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]32)[CH2:18][CH2:19]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 7288Ethyl ketoneHCID 28123BorohydrideHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 66630222HCID 66630222, compound

Product 1

HCID 66630225HCID 66630225, compound

Sources & evidence

ORD record
ord-650552720a97476b8a8059e783666727
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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