Acetic Acid → HCID 69001299, compound

HRID 314186Notes

Reaction equation

HRID 314186 reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[CH3:30][C:31](=[O:32])[OH:33].[CH:25]1([CH2:28][NH2:29])[CH2:26][CH2:27]1.[Cl:48][CH:49]([Cl:50])[CH3:51].[Na+:47].[OH2:52].[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:29][CH2:28][CH:25]4[CH2:26][CH2:27]4)[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 923Sodium ionHCID 962WaterHCID 63651,1-DichloroethaneHCID 75646CyclopropanemethanamineHCID 2724942TriacetoxyborohydrideHCID 91039035HCID 91039035, compound

Product 1

HCID 69001299HCID 69001299, compound

Sources & evidence

ORD record
ord-977dce5cd8534915ae28d88243454656
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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