Acetic Acid → HCID 66850392, compound

HRID 682521Notes

Reaction equation

HRID 682521 reaction equation
[C:53](=[O:54])([O-:55])[OH:56].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[N:9]([c:10]2[n:11][c:12]3[cH:13][cH:14][c:15]([N:30]4[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]4)[cH:16][c:17]3[c:18]([NH:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:19]2[C:20]#[N:21])[C:37](=[O:38])[c:39]2[cH:40][cH:41][c:42]([O:43][CH3:44])[cH:45][cH:46]2)[cH:47][cH:48]1.[CH3:49][C:50](=[O:51])[OH:52].[CH3:58][C:59]#[N:60].[Na+:57]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[n:11][c:12]3[cH:13][cH:14][c:15]([N:30]4[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]4)[cH:16][c:17]3[c:18]([NH:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:19]2[C:20]#[N:21])[cH:47][cH:48]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 66850723HCID 66850723, compound

Product 1

HCID 66850392HCID 66850392, compound

Sources & evidence

ORD record
ord-0d36da6d41ed42ec8975bf5f3d2a0012
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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