Formic Acid → HCID 59426129, compound

HRID 1550412Notes

Reaction equation

HRID 1550412 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:1][C:2](=[O:3])[O:4][C:5](=[O:6])[CH3:7].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[CH:8]([OH:9])=[O:10].[NH2:11][CH2:12][CH2:13][O:14][c:15]1[cH:16][cH:17][c:18](-[c:21]2[n:22]([CH2:34][CH3:35])[c:23]3[cH:24][c:25]([O:32][CH3:33])[cH:26][cH:27][c:28]3[c:29]2[C:30]#[N:31])[cH:19][cH:20]1.[Na+:40].[O-:36][C:37]([OH:38])=[O:39]>>[CH:2](=[O:3])[NH:11][CH2:12][CH2:13][O:14][c:15]1[cH:16][cH:17][c:18](-[c:21]2[n:22]([CH2:34][CH3:35])[c:23]3[cH:24][c:25]([O:32][CH3:33])[cH:26][cH:27][c:28]3[c:29]2[C:30]#[N:31])[cH:19][cH:20]1

Participants

8

Reactant 7

HCID 284Formic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 7918Acetic AnhydrideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 59425830HCID 59425830, compound

Product 1

HCID 59426129HCID 59426129, compound

Sources & evidence

ORD record
ord-b018adf952d248dd9a0e78ec849ff368
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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