Acetic Acid → HCID 178525506, compound

HRID 2350194Notes

Reaction equation

HRID 2350194 reaction equation
[C:55]([OH:56])(=[O:57])[CH3:58].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][CH:11]([C:12](=[O:13])[NH:14][CH:15]1[C:16](=[O:33])[NH:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][n:23]2[c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]3[c:30]([cH:32]2)[CH2:31]1)[n:34]1[cH:35][c:36](-[c:39]2[cH:40][cH:41][c:42](-[c:45]3[cH:46][cH:47][n:48][cH:49][cH:50]3)[cH:43][cH:44]2)[cH:37][cH:38]1)=[O:51].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[CH3:65][CH2:66][OH:67].[CH:52]([OH:53])=[O:54]>>[O:8]=[C:9]([CH2:10][CH:11]([C:12](=[O:13])[NH:14][CH:15]1[C:16](=[O:33])[NH:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][n:23]2[c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]3[c:30]([cH:32]2)[CH2:31]1)[n:34]1[cH:35][c:36](-[c:39]2[cH:40][cH:41][c:42](-[c:45]3[cH:46][cH:47][n:48][cH:49][cH:50]3)[cH:43][cH:44]2)[cH:37][cH:38]1)[OH:51]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 284Formic AcidHCID 702EthanolHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 178520694HCID 178520694, compound

Product 1

HCID 178525506HCID 178525506, compound

Sources & evidence

ORD record
ord-7d7d7f654a6f43b7a2c2aeddd389acb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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