Acetic Acid → HCID 59398224, compound

HRID 1573318Notes

Reaction equation

HRID 1573318 reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22]([N:23]([CH:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1)[CH2:30][c:31]1[cH:32][c:33]2[c:34]([cH:39][cH:40]1)[O:35][CH2:36][CH2:37][O:38]2)=[O:41].[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].[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:27]3[CH2:26][CH2:25][CH:24]([N:23]([C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:41])[CH2:30][c:31]4[cH:32][c:33]5[c:34]([cH:39][cH:40]4)[O:35][CH2:36][CH2:37][O:38]5)[CH2:29][CH2:28]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-bc919732d35243a39b603257da715931
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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