Acetic Acid → HCID 5330410, compound

HRID 284518Notes

Reaction equation

HRID 284518 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.[CH3:51][C:52](=[O:53])[OH:54].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:55][CH2:56][Cl:57].[Cl:7][c:8]1[c:9]([NH:17][c:18]2[c:19]3[c:20]([n:21][cH:22][c:23]2[C:24]#[N:25])[cH:26][c:27](-[c:29]2[cH:30][cH:31][c:32]([CH:35]=[O:36])[cH:33][cH:34]2)[s:28]3)[cH:10][c:11]([O:15][CH3:16])[c:12]([Cl:14])[cH:13]1.[Na+:50]>>[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][N:6]1[CH2:35][c:32]1[cH:31][cH:30][c:29](-[c:27]2[cH:26][c:20]3[c:19]([c:18]([NH:17][c:9]4[c:8]([Cl:7])[cH:13][c:12]([Cl:14])[c:11]([O:15][CH3:16])[cH:10]4)[c:23]([C:24]#[N:25])[cH:22][n:21]3)[s:28]2)[cH:34][cH:33]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8083MorpholineHCID 2724942TriacetoxyborohydrideHCID 10343928HCID 10343928, compound

Product 1

HCID 5330410HCID 5330410, compound

Sources & evidence

ORD record
ord-57789eece895408e9190681b2a9364f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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