Sodium ion → 2-(2-Hydroxy-3-morpholinopropyl)-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine

HRID 94044Notes

Reaction equation

HRID 94044 reaction equation
[CH2:33]1[CH2:34][O:35][CH2:36][CH2:37][NH:38]1.[CH3:39][CH:40]([CH3:41])[CH2:42][C:43](=[O:44])[CH3:45].[Cl:1][CH2:2][CH:3]([CH2:4][N:5]1[CH2:6][CH:7]2[N:8]([c:9]3[c:10]([cH:18][cH:19][cH:20][cH:21]3)[CH2:11][c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[CH2:22][CH2:23]1)[OH:24].[I-:32].[Na+:25].[Na+:26].[Na+:31].[O-:27][C:28](=[O:29])[O-:30]>>[CH2:2]([CH:3]([CH2:4][N:5]1[CH2:6][CH:7]2[N:8]([c:9]3[c:10]([cH:18][cH:19][cH:20][cH:21]3)[CH2:11][c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[CH2:22][CH2:23]1)[OH:24])[N:38]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1

Participants

7

Reactant 6

HCID 923Sodium ion3×HCID 7909Methyl Isobutyl KetoneHCID 8083MorpholineHCID 19660Carbonate IonHCID 30165Iodide IonHCID 18999768HCID 18999768, compound

Product 1

HCID 189997572-(2-Hydroxy-3-morpholinopropyl)-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine

Sources & evidence

ORD record
ord-a6ce114c5901402a80a452b1c35b2cba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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