Potassium Cation → 11-{1-[2-(2-Fluorophenyl)ethyl]piperidin-4-yl}-5H,11H-pyrrolo[2,1-c][1,4]benzoxazepine

HRID 2131382

Reaction equation

HRID 2131382 reaction equation
[CH3:21][S:22]([O:23][CH2:26][CH2:27][c:28]1[c:29]([F:34])[cH:30][cH:31][cH:32][cH:33]1)(=[O:24])=[O:25].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[K+:35].[K+:36].[NH:1]1[CH2:2][CH2:3][CH:4]([CH:7]2[O:8][c:9]3[c:10]([cH:17][cH:18][cH:19][cH:20]3)[CH2:11][n:12]3[c:13]2[cH:14][cH:15][cH:16]3)[CH2:5][CH2:6]1.[O-:37][C:38]([O-:39])=[O:40]>>[N:1]1([CH2:26][CH2:27][c:28]2[c:29]([F:34])[cH:30][cH:31][cH:32][cH:33]2)[CH2:2][CH2:3][CH:4]([CH:7]2[O:8][c:9]3[c:10]([cH:17][cH:18][cH:19][cH:20]3)[CH2:11][n:12]3[c:13]2[cH:14][cH:15][cH:16]3)[CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 1368935811-(piperdin-4-yl)-5H,11H-pyrrolo[2,1-c][1,4]benzoxazepineHCID 151245352-(2-Fluorophenyl)ethyl methanesulfonate

Product 1

HCID 1385147011-{1-[2-(2-Fluorophenyl)ethyl]piperidin-4-yl}-5H,11H-pyrrolo[2,1-c][1,4]benzoxazepine

Sources & evidence

ORD record
ord-f7274430252d421b8377276df70d1ccf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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