Acetic Acid → HCID 5330105, compound

HRID 2317869Notes

Reaction equation

HRID 2317869 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][NH:6]1.[CH2:55]([Cl:56])[Cl:57].[CH3:51][C:52](=[O:53])[OH:54].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:7][c:8]1[c:9]([NH:10][c:11]2[c:12]([C:28]#[N:29])[cH:13][n:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[cH:22][s:23][c:24]([CH:26]=[O:27])[cH:25]4)[cH:19][c:20]23)[cH:30][c:31]([O:35][CH3:36])[c:32]([Cl:34])[cH:33]1.[Na+:50]>>[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][N:6]1[CH2:26][c:24]1[s:23][cH:22][c:21](-[c:18]2[cH:17][cH:16][c:15]3[n:14][cH:13][c:12]([C:28]#[N:29])[c:11]([NH:10][c:9]4[c:8]([Cl:7])[cH:33][c:32]([Cl:34])[c:31]([O:35][CH3:36])[cH:30]4)[c:20]3[cH:19]2)[cH:25]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8083MorpholineHCID 2724942TriacetoxyborohydrideHCID 10115079HCID 10115079, compound

Product 1

HCID 5330105HCID 5330105, compound

Sources & evidence

ORD record
ord-77248f29179c40a99c66abd0dda336a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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