Acetic Acid → HCID 59398224, compound

HRID 1536551Notes

Reaction equation

HRID 1536551 reaction equation
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[C:56](=[O:57])([O-:58])[OH:59].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[n:7][cH:8][c:9](=[O:16])[n:10]([CH2:13][CH:14]=[O:15])[c:11]2[cH:12]1.[CH3:66][C:67](=[O:68])[OH:69].[CH:62]([Cl:63])([Cl:64])[Cl:65].[Cl:70][CH2:71][Cl:72].[Na+:55].[Na+:60].[O:17]1[CH2:18][CH2:19][O:20][c:21]2[c:22]1[cH:23][cH:24][c:25]([CH2:27][N:28]([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1)[cH:26]2.[OH2:61]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[n:7][cH:8][c:9](=[O:16])[n:10]([CH2:13][CH2:14][N:39]3[CH2:38][CH2:37][CH:36]([N:28]([CH2:27][c:25]4[cH:24][cH:23][c:22]5[c:21]([cH:26]4)[O:20][CH2:19][CH2:18][O:17]5)[C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:41][CH2:40]3)[c:11]2[cH:12]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 6212ChloroformHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 57815320Tert-butyl (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(piperidin-4-yl)carbamateHCID 59398142(7-methoxy-2-oxoquinoxalin-1(2H)-yl)acetaldehyde

Product 1

HCID 59398224HCID 59398224, compound

Sources & evidence

ORD record
ord-0bf19ad4518e410ea6497346e773133d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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