Bicarbonate Ion → HCID 66970875, compound

HRID 2134196Notes

Reaction equation

HRID 2134196 reaction equation
[C:44](=[O:45])([OH:46])[O-:47].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]([NH:15][c:16]3[n:17][cH:18][c:19]([N+:35]([O-:36])=[O:37])[c:20]([NH:22][CH:23]4[CH2:24][CH2:25][O:26][c:27]5[c:28]([F:34])[cH:29][c:30]([F:33])[cH:31][c:32]54)[n:21]3)[cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[cH:38][cH:39][c:40]([O:42][CH3:43])[cH:41]1.[CH3:49][OH:50].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[Na+:48].[OH2:56]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]([NH:15][c:16]3[n:17][cH:18][c:19]([NH2:35])[c:20]([NH:22][CH:23]4[CH2:24][CH2:25][O:26][c:27]5[c:28]([F:34])[cH:29][c:30]([F:33])[cH:31][c:32]54)[n:21]3)[cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[cH:38][cH:39][c:40]([O:42][CH3:43])[cH:41]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 66970783HCID 66970783, compound

Product 1

HCID 66970875HCID 66970875, compound

Sources & evidence

ORD record
ord-34dd1abe65724731b45664e3a8ebc524
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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