Acetic Acid → HCID 11533380, compound

HRID 1142900Notes

Reaction equation

HRID 1142900 reaction equation
[C:52]([BH3-:53])#[N:54].[C:64]([OH:65])(=[O:66])[CH3:67].[C:8]([O:9][BH-:10]([O:11][C:12](=[O:13])[CH3:14])[O:15][C:16](=[O:17])[CH3:18])(=[O:19])[CH3:20].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[Cl:22][c:23]1[cH:24][cH:25][c:26](-[c:29]2[cH:30][cH:31][c:32]([C:35]#[C:36][c:37]3[cH:38][c:39]([CH3:51])[c:40]([O:41][CH2:42][CH2:43][NH:44][CH2:45][CH:46]4[CH2:47][CH2:48]4)[cH:49][cH:50]3)[n:33][cH:34]2)[cH:27][cH:28]1.[Cl:61][CH2:62][Cl:63].[Na+:21].[Na+:55].[O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1>>[CH:2]1([N:44]([CH2:43][CH2:42][O:41][c:40]2[c:39]([CH3:51])[cH:38][c:37]([C:36]#[C:35][c:32]3[cH:31][cH:30][c:29](-[c:26]4[cH:25][cH:24][c:23]([Cl:22])[cH:28][cH:27]4)[cH:34][n:33]3)[cH:50][cH:49]2)[CH2:45][CH:46]2[CH2:47][CH2:48]2)[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 7967CyclohexanoneHCID 8028TetrahydrofuranHCID 498716Cyano-borohydrideHCID 2724942TriacetoxyborohydrideHCID 11538940HCID 11538940, compound

Product 1

HCID 11533380HCID 11533380, compound

Sources & evidence

ORD record
ord-e82ea1e43905449ebcf930dc8e64312c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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