Acetic Acid → HCID 178454430, compound

HRID 698097Notes

Reaction equation

HRID 698097 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:14]([CH2:15][CH:16]([C:17]([F:18])([F:19])[F:20])[CH3:21])=[O:22])[C:10](=[O:13])[O:11][CH2:12]1.[CH2:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[CH3:38].[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[CH3:24][CH:25]([N-:26][CH:27]([CH3:28])[CH3:29])[CH3:30].[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[CH3:72][C:73](=[O:74])[OH:75].[Li+:23].[N:51](=[N:52][C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:14]([CH:15]([CH:16]([C:17]([F:18])([F:19])[F:20])[CH3:21])[N:51]([NH:52][C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])=[O:22])[C:10](=[O:13])[O:11][CH2:12]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 7500EthylbenzeneHCID 8028Tetrahydrofuran2×HCID 8900HeptaneHCID 28486Lithium ionHCID 97268Di-tert-butyl azodicarboxylateHCID 5062348DiisopropylamideHCID 76724281HCID 76724281, compound

Product 1

HCID 178454430HCID 178454430, compound

Sources & evidence

ORD record
ord-0d62a4da02f9410e8bbbd9badb140fff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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