Acetic Acid → HCID 68999683, compound

HRID 1220987Notes

Reaction equation

HRID 1220987 reaction equation
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH2:33]1[CH2:34][O:35][CH2:36][CH2:37][NH:38]1.[CH3:29][C:30](=[O:31])[OH:32].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[c:11]([CH:16]=[CH:17][c:18]3[n:19][nH:20][c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]34)[cH:12][cH:13][cH:14][cH:15]2)[cH:27][cH:28]1.[Cl:53][CH:54]([Cl:55])[CH3:56].[Na+:52].[OH2:57]>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[c:11]([CH:16]=[CH:17][c:18]3[n:19][nH:20][c:21]4[cH:22][cH:23][cH:24][cH:25][c:26]34)[cH:12][cH:13][cH:14][cH:15]2)[cH:27][cH:28]1)[N:38]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 63651,1-DichloroethaneHCID 8083MorpholineHCID 2724942TriacetoxyborohydrideHCID 91500767HCID 91500767, compound

Product 1

HCID 68999683HCID 68999683, compound

Sources & evidence

ORD record
ord-111ee35332ff4fad995b6532f1c4dc47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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