Acetic Acid → HCID 68998810, compound

HRID 1235325Notes

Reaction equation

HRID 1235325 reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[CH3:29][C:30](=[O:31])[OH:32].[Cl:47][CH:48]([Cl:49])[CH3:50].[NH2:25][CH2:26][CH2:27][OH:28].[Na+:46].[OH2:51].[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[c:13](-[n:18]3[cH:19][c:20]([CH:23]=[O:24])[cH:21][cH:22]3)[cH:14][cH:15][cH:16][cH:17]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[c:13](-[n:18]3[cH:19][c:20]([CH2:23][NH:25][CH2:26][CH2:27][OH:28])[cH:21][cH:22]3)[cH:14][cH:15][cH:16][cH:17]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 700EthanolamineHCID 923Sodium ionHCID 962WaterHCID 63651,1-DichloroethaneHCID 2724942TriacetoxyborohydrideHCID 91039035HCID 91039035, compound

Product 1

HCID 68998810HCID 68998810, compound

Sources & evidence

ORD record
ord-9c1fbff6d02f4f6ca6482d6b72ed75c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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