Acetic Acid → HCID 57815362, compound

HRID 1112783Notes

Reaction equation

HRID 1112783 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][NH:2][c:3]1[cH:4][n:5][c:6]2[cH:7][cH:8][c:9](=[O:16])[n:10]([CH2:13][CH:14]=[O:15])[c:11]2[cH:12]1.[CH3:64][C:65](=[O:66])[OH:67].[CH:68]([Cl:69])([Cl:70])[Cl:71].[Cl:61][CH2:62][Cl:63].[Na+:55].[Na+:60].[O:17]1[CH2:18][CH2:19][O:20][c:21]2[cH:22][n:23][c:24]([CH2:27][N:28]([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH:36]3[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]3)[cH:25][c:26]21>>[CH3:1][NH:2][c:3]1[cH:4][n:5][c:6]2[cH: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:24]4[n:23][cH:22][c:21]5[c:26]([cH:25]4)[O:17][CH2:18][CH2:19][O:20]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

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6212ChloroformHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 57815350HCID 57815350, compoundHCID 578154611,1-Dimethylethyl (2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-4-piperidinylcarbamate

Product 1

HCID 57815362HCID 57815362, compound

Sources & evidence

ORD record
ord-5fb495e7f514402db52314dbeeaf64af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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