Acetic Acid → HCID 57863428, compound

HRID 142405Notes

Reaction equation

HRID 142405 reaction equation
[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([NH:11][C:12](=[O:13])[NH:14][c:15]2[c:16]([F:40])[cH:17][c:18](-[c:21]3[cH:22][n:23][c:24]4[n:25]3[cH:26][cH:27][c:28](-[c:30]3[cH:31][c:32]([CH2:36][CH2:37][CH:38]=[O:39])[n:33][cH:34][cH:35]3)[cH:29]4)[cH:19][cH:20]2)[n:9][o:10]1.[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[CH2:41]([CH3:42])[NH:43][CH2:44][CH3:45].[CH3:60][C:61](=[O:62])[OH:63].[ClH:1].[Na+:59]>>[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([NH:11][C:12](=[O:13])[NH:14][c:15]2[c:16]([F:40])[cH:17][c:18](-[c:21]3[cH:22][n:23][c:24]4[n:25]3[cH:26][cH:27][c:28](-[c:30]3[cH:31][c:32]([CH2:36][CH2:37][CH2:38][N:43]([CH2:41][CH3:42])[CH2:44][CH3:45])[n:33][cH:34][cH:35]3)[cH:29]4)[cH:19][cH:20]2)[n:9][o:10]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 8021DiethylamineHCID 2724942TriacetoxyborohydrideHCID 86634309HCID 86634309, compound

Product 1

HCID 57863428HCID 57863428, compound

Sources & evidence

ORD record
ord-571c50d5d363448b81830ca81e862f0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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