Bicarbonate Ion → (+/-)-4-[1-(5,6-Diphenylpyrazin-2-yl)pyrrolidin-2-yl]-1-butanol

HRID 1536237Notes

Reaction equation

HRID 1536237 reaction equation
[C:47](=[O:48])([O-:49])[OH:50].[CH3:52][OH:53].[Na+:51].[OH2:35].[c:1]1(-[c:7]2[n:8][cH:9][c:10]([N:19]3[CH:20]([CH2:24][CH2:25][CH2:26][CH2:27][O:28][CH:29]4[CH2:30][CH2:31][CH2:32][CH2:33][O:34]4)[CH2:21][CH2:22][CH2:23]3)[n:11][c:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:36]1([CH3:37])[cH:38][cH:39][c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46]1>>[c:1]1(-[c:7]2[n:8][cH:9][c:10]([N:19]3[CH:20]([CH2:24][CH2:25][CH2:26][CH2:27][OH:28])[CH2:21][CH2:22][CH2:23]3)[n:11][c:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 22931951(+/-)-1-[1-(5,6-Diphenylpyrazin-2-yl)pyrrolidin-2-yl]-4-(2-tetrahydropyranyloxy)butane

Product 1

HCID 18452667(+/-)-4-[1-(5,6-Diphenylpyrazin-2-yl)pyrrolidin-2-yl]-1-butanol

Sources & evidence

ORD record
ord-79819d2ffa994d4a8fcdea5bccd6580e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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