Bicarbonate Ion → HCID 68574727, compound

HRID 1209612Notes

Reaction equation

HRID 1209612 reaction equation
[C:59](=[O:60])([OH:61])[O-:62].[CH2:3]([CH:4]=[CH2:5])[O:6][c:7]1[cH:8][cH:9][c:10]([CH:13]2[CH:14]([OH:40])[CH2:15][N:16]([C:30](=[O:31])[O:32][CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[CH2:17][CH:18]2[O:19][Si:20]([CH:21]([CH3:22])[CH3:23])([CH:24]([CH3:25])[CH3:26])[CH:27]([CH3:28])[CH3:29])[cH:11][cH:12]1.[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[Cl:41][CH2:42][c:43]1[cH:44][cH:45][c:46]2[c:47]([cH:58]1)[N:48]([CH2:53][CH2:54][CH2:55][O:56][CH3:57])[C:49](=[O:52])[CH2:50][O:51]2.[H-:1].[Na+:2].[Na+:63]>>[CH2:3]([CH:4]=[CH2:5])[O:6][c:7]1[cH:8][cH:9][c:10]([CH:13]2[CH:14]([O:40][CH2:42][c:43]3[cH:44][cH:45][c:46]4[c:47]([cH:58]3)[N:48]([CH2:53][CH2:54][CH2:55][O:56][CH3:57])[C:49](=[O:52])[CH2:50][O:51]4)[CH2:15][N:16]([C:30](=[O:31])[O:32][CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[CH2:17][CH:18]2[O:19][Si:20]([CH:21]([CH3:22])[CH3:23])([CH:24]([CH3:25])[CH3:26])[CH:27]([CH3:28])[CH3:29])[cH:11][cH:12]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 166653HydrideHCID 468352236-(chloromethyl)-4-(3-methoxypropyl)-2H-benzo[b][1,4]oxazin-3(4H)-oneHCID 68574797HCID 68574797, compound

Product 1

HCID 68574727HCID 68574727, compound

Sources & evidence

ORD record
ord-4af443dcf8b94041bb9eba01562d3c27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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