tert-Butanol → HCID 19850789, compound

HRID 1204503Notes

Reaction equation

HRID 1204503 reaction equation
[C:48]([OH:49])([CH3:50])([CH3:51])[CH3:52].[CH3:16][CH2:17][CH2:18][CH2:19][O-:20].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[OH:14].[F:21][c:22]1[cH:23][cH:24][c:25]([CH:28]([O:29][CH2:30][CH2:31][CH2:32][N:33]2[CH2:34][CH2:35][N:36]([CH2:39][CH2:40][Cl:41])[CH2:37][CH2:38]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:26][cH:27]1.[K:15]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][CH2:40][CH2:39][N:36]1[CH2:35][CH2:34][N:33]([CH2:32][CH2:31][CH2:30][O:29][CH:28]([c:25]2[cH:24][cH:23][c:22]([F:21])[cH:27][cH:26]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[CH2:38][CH2:37]1

Participants

6

Reactant 5

HCID 6386tert-ButanolHCID 7037BenzhydrolHCID 5462222PotassiumHCID 12476378Butan-1-olateHCID 19850790HCID 19850790, compound

Product 1

HCID 19850789HCID 19850789, compound

Sources & evidence

ORD record
ord-423555f5159b46188d7055065e0b990a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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