Potassium Cation → 11-{1-[2-(3,4,5-Trimethoxyphenyl)ethyl]piperidin-4-yl}-5H,11H-pyrrolo[2,1-c][1,4]benzoxazepine

HRID 316458

Reaction equation

HRID 316458 reaction equation
[CH3:27][S:28]([O:29][CH2:32][CH2:33][c:34]1[cH:35][c:36]([O:44][CH3:45])[c:37]([O:42][CH3:43])[c:38]([O:40][CH3:41])[cH:39]1)(=[O:30])=[O:31].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[K+:21].[K+:22].[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-:23][C:24]([O-:25])=[O:26]>>[N:1]1([CH2:32][CH2:33][c:34]2[cH:35][c:36]([O:44][CH3:45])[c:37]([O:42][CH3:43])[c:38]([O:40][CH3:41])[cH:39]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 116162582-(3,4,5-Trimethoxyphenyl)ethyl methanesulfonateHCID 1368935811-(piperdin-4-yl)-5H,11H-pyrrolo[2,1-c][1,4]benzoxazepine

Product 1

HCID 1368940511-{1-[2-(3,4,5-Trimethoxyphenyl)ethyl]piperidin-4-yl}-5H,11H-pyrrolo[2,1-c][1,4]benzoxazepine

Sources & evidence

ORD record
ord-56b74e009f5d48cca10d18150379e3cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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