Acetic Acid → HCID 178458372, compound

HRID 290056Notes

Reaction equation

HRID 290056 reaction equation
[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:38][Si:39]([N-:40][Si:41]([CH3:42])([CH3:43])[CH3:44])([CH3:45])[CH3:46].[CH3:50][C:51](=[O:52])[OH:53].[CH:1]1([NH:7][C:8]2=[N:9][C:10](=[O:37])[N:11]([c:30]3[cH:31][c:32]([F:36])[cH:33][cH:34][cH:35]3)[C:12]23[CH2:13][CH:14]([CH3:29])[N:15]([CH2:18][c:19]2[cH:20][c:21]([O:25][CH:26]([CH3:27])[CH3:28])[cH:22][cH:23][cH:24]2)[CH2:16][CH2:17]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[I:48][CH3:49].[Li+:47]>>[CH:1]1([N:7]=[C:8]2[N:9]([CH3:38])[C:10](=[O:37])[N:11]([c:30]3[cH:31][c:32]([F:36])[cH:33][cH:34][cH:35]3)[C:12]23[CH2:13][CH:14]([CH3:29])[N:15]([CH2:18][c:19]2[cH:20][c:21]([O:25][CH:26]([CH3:27])[CH3:28])[cH:22][cH:23][cH:24]2)[CH2:16][CH2:17]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 6328Methyl iodideHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 3280088Npc316347HCID 178458373HCID 178458373, compound

Product 1

HCID 178458372HCID 178458372, compound

Sources & evidence

ORD record
ord-2f5fc5904afa481791efc50888a8376a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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