1-Butanol → HCID 21506804, compound

HRID 1539541Notes

Reaction equation

HRID 1539541 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[Cl:16][CH2:17][CH2:18][CH2:19][CH:20]([c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1)[c:28]1[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]1.[K+:39].[K+:40].[NH:1]1[CH2:2][CH2:3][C:4]2([O:5][C:6](=[O:13])[c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]32)[CH2:14][CH2:15]1>>[N:1]1([CH2:17][CH2:18][CH2:19][CH:20]([c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[CH2:2][CH2:3][C:4]2([O:5][C:6](=[O:13])[c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]32)[CH2:14][CH2:15]1

Participants

6

Reactant 5

HCID 2631-ButanolHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 768201,1'-(4-Chlorobutylidene)bis(4-fluorobenzene)HCID 98342553H-spiro(isobenzofuran-1,4'-piperidin)-3-one

Product 1

HCID 21506804HCID 21506804, compound

Sources & evidence

ORD record
ord-16951514da1e4dbca57ce5d3e1a8f214
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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