Acetic Acid → HCID 59397846, compound

HRID 2141348Notes

Reaction equation

HRID 2141348 reaction equation
[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20]([N:21]([CH:22]1[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1)[CH2:28][c:29]1[cH:30][c:31]2[c:32]([cH:37][cH:38]1)[O:33][CH2:34][CH2:35][O:36]2)=[O:39].[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[C:54](=[O:55])([O-:56])[OH:57].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[CH3:66][C:67](=[O:68])[OH:69].[Cl:70][CH2:71][Cl:72].[Na+:53].[Na+:58].[O:1]=[c:2]1[n:3]([CH2:12][CH:13]=[O:14])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[cH:10][cH:11]1.[OH2:65]>>[O:1]=[c:2]1[n:3]([CH2:12][CH2:13][N:25]2[CH2:24][CH2:23][CH:22]([N:21]([C:20]([O:19][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:39])[CH2:28][c:29]3[cH:30][c:31]4[c:32]([cH:37][cH:38]3)[O:33][CH2:34][CH2:35][O:36]4)[CH2:27][CH2:26]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[cH:10][cH:11]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 17781681(2-oxoquinolin-1(2H)-yl)acetaldehydeHCID 57815320Tert-butyl (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(piperidin-4-yl)carbamate

Product 1

HCID 59397846HCID 59397846, compound

Sources & evidence

ORD record
ord-8f0ad0f2b6e34878bc1e462f9e930c15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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