Methyl iodide → HCID 178499861, compound

HRID 2331678Notes

Reaction equation

HRID 2331678 reaction equation
[CH2:55]([c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[CH3:62].[CH3:1][CH:2]([C:3](=[O:4])[O-:5])[c:6]1[cH:7][c:8]([NH:16][C:17]([c:18]2[c:19]([CH3:38])[cH:20][c:21]([O:25][CH2:26][CH:27]3[O:28][c:29]4[c:30]([cH:34][cH:35][cH:36][cH:37]4)[N:31]([CH3:33])[CH2:32]3)[cH:22][c:23]2[CH3:24])=[O:39])[c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]1.[CH3:53][I:54].[CH3:68][CH2:69][CH2:70][CH2:71][CH2:72][CH2:73][CH3:74].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[CH:45]([N-:46][CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Li+:52].[O:40]1[CH2:41][CH2:44][CH2:43][CH2:42]1.[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1>>[CH3:1][CH:2]([C:3](=[O:4])[O:5][CH3:41])[c:6]1[cH:7][c:8]([NH:16][C:17]([c:18]2[c:19]([CH3:38])[cH:20][c:21]([O:25][CH2:26][CH:27]3[O:28][c:29]4[c:30]([cH:34][cH:35][cH:36][cH:37]4)[N:31]([CH3:33])[CH2:32]3)[cH:22][c:23]2[CH3:24])=[O:39])[c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]1

Participants

9

Reactant 8

HCID 6328Methyl iodideHCID 7500EthylbenzeneHCID 8028Tetrahydrofuran2×HCID 8857Ethyl AcetateHCID 8900HeptaneHCID 28486Lithium ionHCID 5062348DiisopropylamideHCID 178428957HCID 178428957, compound

Product 1

HCID 178499861HCID 178499861, compound

Sources & evidence

ORD record
ord-5496014cb6ee4b8aab5eaaf1c8100ccc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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