Acetic Acid → HCID 11619765, compound

HRID 1538748Notes

Reaction equation

HRID 1538748 reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[C:50](=[O:51])([O-:52])[O-:53].[C:62]([OH:63])(=[O:64])[CH3:65].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]#[C:15][c:16]3[cH:17][cH:18][c:19]([O:20][CH2:21][CH2:22][NH:23][CH2:24][CH:25]4[CH2:26][CH2:27]4)[cH:28][cH:29]3)[n:12][cH:13]2)[cH:6][cH:7]1.[K+:54].[K+:55].[Na+:49].[O:30]=[C:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH2:61]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]#[C:15][c:16]3[cH:17][cH:18][c:19]([O:20][CH2:21][CH2:22][N:23]([CH2:24][CH:25]4[CH2:26][CH2:27]4)[CH:31]4[CH2:32][CH2:33][CH2:34][CH2:35]4)[cH:28][cH:29]3)[n:12][cH:13]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8452CyclopentanoneHCID 19660Carbonate IonHCID 2724942TriacetoxyborohydrideHCID 69065035HCID 69065035, compound

Product 1

HCID 11619765HCID 11619765, compound

Sources & evidence

ORD record
ord-a0278ae3b015435ea52425afa8a32921
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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