Acetic Acid → HCID 10224407, compound

HRID 106050Notes

Reaction equation

HRID 106050 reaction equation
[C:34]([OH:35])(=[O:36])[CH3:37].[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]2[c:7]([n:8](-[c:11]3[n:12][c:13]4[c:14]([N:21]5[CH2:22][CH2:23][C:24](=[O:27])[CH2:25][CH2:26]5)[cH:15][cH:16][cH:17][c:18]4[cH:19][cH:20]3)[cH:9][n:10]2)[cH:28][cH:29]1.[CH:30]1([NH2:33])[CH2:31][CH2:32]1.[Cl:52][CH:53]([Cl:54])[CH3:55].[N:56]#[N:57].[Na+:51]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]2[c:7]([n:8](-[c:11]3[n:12][c:13]4[c:14]([N:21]5[CH2:22][CH2:23][CH:24]([NH:33][CH:30]6[CH2:31][CH2:32]6)[CH2:25][CH2:26]5)[cH:15][cH:16][cH:17][c:18]4[cH:19][cH:20]3)[cH:9][n:10]2)[cH:28][cH:29]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 947NitrogenHCID 63651,1-DichloroethaneHCID 69828CyclopropylamineHCID 2724942TriacetoxyborohydrideHCID 10110689HCID 10110689, compound

Product 1

HCID 10224407HCID 10224407, compound

Sources & evidence

ORD record
ord-ac69cfd3188a4224b89d0428409f0d71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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