Bicarbonate Ion → {4-[(3-(pyridin-3-yl)pyrrolidin-1-yl)carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl}methanol

HRID 1121099Notes

Reaction equation

HRID 1121099 reaction equation
[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH3:49][OH:50].[CH:29]([Al+:30][CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[Cl:51][CH2:52][Cl:53].[H-:28].[Na+:37].[Na+:38].[OH-:36].[OH:39][C:40](=[O:41])[O-:42].[n:1]1[cH:2][c:3]([CH:7]2[CH2:8][N:9]([C:12](=[O:13])[N:14]3[CH2:15][CH2:16][O:17][c:18]4[c:19]3[cH:20][c:21]([C:24](=[O:25])[O:26][CH3:27])[cH:22][cH:23]4)[CH2:10][CH2:11]2)[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([CH:7]2[CH2:8][N:9]([C:12](=[O:13])[N:14]3[CH2:15][CH2:16][O:17][c:18]4[c:19]3[cH:20][c:21]([CH2:24][OH:25])[cH:22][cH:23]4)[CH2:10][CH2:11]2)[cH:4][cH:5][cH:6]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 6344DichloromethaneHCID 8058HexaneHCID 166653HydrideHCID 17885356Di(propan-2-yl)alumanyliumHCID 67187798methyl 4-[(3-(pyridin-3-yl)pyrrolidin-1-yl)carbonyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

Product 1

HCID 24853019{4-[(3-(pyridin-3-yl)pyrrolidin-1-yl)carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-6-yl}methanol

Sources & evidence

ORD record
ord-c79c5bc604cb440f8c36a2d7058dbb96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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