Ethanol → HCID 178463009, compound

HRID 2338607Notes

Reaction equation

HRID 2338607 reaction equation
[CH3:43][CH2:44][OH:45].[CH3:46][CH:47]([CH3:48])[O-:49].[CH3:51][CH:52]([CH3:53])[O-:54].[CH3:55][CH:56]([CH3:57])[O-:58].[CH3:59][CH:60]([CH3:61])[O-:62].[NH2:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7]([CH:11]([C:12]([CH2:13][n:14]3[n:15][cH:16][n:17][cH:18]3)([OH:19])[c:20]3[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]3)[CH3:28])[c:8]2[cH:9][cH:10]1.[O:29]=[C:30]1[CH2:31][CH2:32][N:33]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:34][CH2:35]1.[Ti+4:50]>>[NH:1]([c:2]1[cH:3][c:4]2[cH:5][n:6][n:7]([CH:11]([C:12]([CH2:13][n:14]3[n:15][cH:16][n:17][cH:18]3)([OH:19])[c:20]3[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]3)[CH3:28])[c:8]2[cH:9][cH:10]1)[CH:30]1[CH2:31][CH2:32][N:33]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:34][CH2:35]1

Participants

6

Reactant 5

HCID 702EthanolHCID 114942Titanium cation (4+)HCID 735900tert-Butyl 4-oxopiperidine-1-carboxylateHCID 3260420Isopropanolate4×HCID 178463010HCID 178463010, compound

Product 1

HCID 178463009HCID 178463009, compound

Sources & evidence

ORD record
ord-18ebc51c38f24d459c4450d26da59f7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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