Methanol → HCID 44608297, compound

HRID 1553994Notes

Reaction equation

HRID 1553994 reaction equation
[CH3:1][C:2]([CH3:3])([CH3:4])[C:5]([NH:6][c:7]1[cH:8][cH:9][c:10]([O:11][c:12]2[cH:13][c:14]([CH2:15][C:16]([OH:17])=[O:18])[cH:19][cH:20][c:21]2[O:22][CH3:23])[c:24]([CH2:25][S:26][CH2:27][C:28]([F:29])([F:30])[F:31])[cH:32]1)=[O:33].[CH3:38][O:39][C:40]([CH2:41][c:42]1[cH:43][c:44]([O:50][c:51]2[c:52]([CH2:65][S:66][CH2:67][C:68]([F:69])([F:70])[F:71])[cH:53][c:54]([N:57]([CH3:58])[C:59]([C:60]([CH3:61])([CH3:62])[CH3:63])=[O:64])[cH:55][cH:56]2)[c:45]([O:48][CH3:49])[cH:46][cH:47]1)=[O:72].[CH3:75][C:76]#[N:77].[CH3:78][OH:79].[H-:36].[I:34][CH3:35].[Li+:73].[Na+:37].[OH-:74].[OH2:80]>>[O:39]=[C:40]([CH2:41][c:42]1[cH:43][c:44]([O:50][c:51]2[c:52]([CH2:65][S:66][CH2:67][C:68]([F:69])([F:70])[F:71])[cH:53][c:54]([N:57]([CH3:58])[C:59]([C:60]([CH3:61])([CH3:62])[CH3:63])=[O:64])[cH:55][cH:56]2)[c:45]([O:48][CH3:49])[cH:46][cH:47]1)[OH:72]

Participants

11

Reactant 10

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6328Methyl iodideHCID 6342AcetonitrileHCID 28486Lithium ionHCID 166653HydrideHCID 44600604HCID 44600604, compoundHCID 58372760HCID 58372760, compound

Product 1

HCID 44608297HCID 44608297, compound

Sources & evidence

ORD record
ord-c32188b4d41843deb2702bd879980e61
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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