Acetic Acid → HCID 70055762, compound

HRID 190333Notes

Reaction equation

HRID 190333 reaction equation
[C:30]([BH3-:31])#[N:32].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][n:7][n:8](-[c:10]2[cH:11][cH:12][c:13]([CH:16]=[O:17])[cH:14][cH:15]2)[cH:9]1.[CH3:47][OH:48].[CH3:49][C:50](=[O:51])[OH:52].[Cl:39][CH2:40][Cl:41].[Na+:33].[Na+:38].[O-:34][C:35]([OH:36])=[O:37].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[c:18]1([N:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[cH:19][cH:20][cH:21][cH:22][cH:23]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][n:7][n:8](-[c:10]2[cH:11][cH:12][c:13]([CH2:16][N:27]3[CH2:26][CH2:25][N:24]([c:18]4[cH:19][cH:20][cH:21][cH:22][cH:23]4)[CH2:29][CH2:28]3)[cH:14][cH:15]2)[cH:9]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 70961-PhenylpiperazineHCID 8028TetrahydrofuranHCID 498716Cyano-borohydrideHCID 57286669HCID 57286669, compound

Product 1

HCID 70055762HCID 70055762, compound

Sources & evidence

ORD record
ord-b3988a4f36f34aafaa5c475969466404
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…