Acetic Acid → HCID 25214475, compound

HRID 108924Notes

Reaction equation

HRID 108924 reaction equation
[C:48]([O:49][BH-:50]([O:51][C:52](=[O:53])[CH3:54])[O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[CH2:1]1[NH:2][CH2:3][CH2:4][c:5]2[c:6]([O:11][c:12]3[n:13][cH:14][cH:15][cH:16][c:17]3[NH:18][C:19](=[O:20])[NH:21][c:22]3[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]3)[cH:7][cH:8][cH:9][c:10]21.[CH3:41][O:42][CH:43]([O:44][CH3:45])[O:46][CH3:47].[CH3:61][OH:62].[CH3:63][C:64](=[O:65])[OH:66].[CH3:67][N:68]1[CH2:69][CH2:70][CH2:71][C:72]1=[O:73].[CH:33]1([CH:39]=[O:40])[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1>>[CH2:1]1[N:2]([CH2:39][CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[CH2:3][CH2:4][c:5]2[c:6]([O:11][c:12]3[n:13][cH:14][cH:15][cH:16][c:17]3[NH:18][C:19](=[O:20])[NH:21][c:22]3[cH:23][cH:24][c:25]([O:28][C:29]([F:30])([F:31])[F:32])[cH:26][cH:27]3)[cH:7][cH:8][cH:9][c:10]21

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 9005Trimethyl orthoformateHCID 13387N-methyl-2-pyrrolidoneHCID 16275CyclohexanecarboxaldehydeHCID 2724942TriacetoxyborohydrideHCID 68533081HCID 68533081, compound

Product 1

HCID 25214475HCID 25214475, compound

Sources & evidence

ORD record
ord-3315511a6ab346168b7547dafba63b15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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