Acetic Acid → HCID 67540253, compound

HRID 201372Notes

Reaction equation

HRID 201372 reaction equation
[C:38]([BH3-:39])#[N:40].[C:42](=[O:43])([O-:44])[OH:45].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([CH3:24])[cH:8][c:9](=[O:23])[n:10]([CH2:13][CH2:14][C:15]3([C:21]#[N:22])[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]3)[c:11]2[cH:12]1.[CH3:55][C:56](=[O:57])[OH:58].[CH3:59][OH:60].[CH:47]([Cl:48])([Cl:49])[Cl:50].[Cl:52][CH2:53][Cl:54].[Na+:41].[Na+:46].[O:25]1[c:26]2[c:27]([cH:31][c:32]([CH2:35][CH:36]=[O:37])[cH:33][cH:34]2)[O:28][CH2:29][CH2:30]1.[OH2:51]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([CH3:24])[cH:8][c:9](=[O:23])[n:10]([CH2:13][CH2:14][C:15]3([C:21]#[N:22])[CH2:16][CH2:17][N:18]([CH2:36][CH2:35][c:32]4[cH:31][c:27]5[c:26]([cH:34][cH:33]4)[O:25][CH2:30][CH2:29][O:28]5)[CH2:19][CH2:20]3)[c:11]2[cH:12]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 962WaterHCID 6212ChloroformHCID 6344DichloromethaneHCID 498716Cyano-borohydrideHCID 17979906HCID 17979906, compoundHCID 67537705HCID 67537705, compound

Product 1

HCID 67540253HCID 67540253, compound

Sources & evidence

ORD record
ord-cafe940020df4c9a879ae9d50c06fffb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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