Methanol → HCID 59726837, compound

HRID 1535512Notes

Reaction equation

HRID 1535512 reaction equation
[C:45]([O:46][O-:47])(=[O:48])[c:49]1[c:50]([C:55]([O-:56])=[O:57])[cH:51][cH:52][cH:53][cH:54]1.[C:60]([O:61][O-:62])(=[O:63])[c:64]1[c:65]([C:70]([O-:71])=[O:72])[cH:66][cH:67][cH:68][cH:69]1.[CH3:77][OH:78].[Cl:74][CH2:75][Cl:76].[F:1][c:2]1[c:3]([CH2:4][n:5]2[c:6](=[O:33])[c:7]([C:31]#[N:32])[c:8]([C:27]([F:28])([F:29])[F:30])[cH:9][c:10]2-[c:11]2[s:12][c:13](-[c:16]3[n:17][c:18]([S:25][CH3:26])[n:19][c:20]([O:22][CH2:23][CH3:24])[cH:21]3)[cH:14][cH:15]2)[cH:34][cH:35][c:36]([F:38])[cH:37]1.[Mg+2:58].[Mg+2:73].[OH2:39].[OH2:40].[OH2:41].[OH2:42].[OH2:43].[OH2:44].[OH2:59]>>[F:1][c:2]1[c:3]([CH2:4][n:5]2[c:6](=[O:33])[c:7]([C:31]#[N:32])[c:8]([C:27]([F:28])([F:29])[F:30])[cH:9][c:10]2-[c:11]2[s:12][c:13](-[c:16]3[n:17][c:18]([S:25]([CH3:26])(=[O:39])=[O:40])[n:19][c:20]([O:22][CH2:23][CH3:24])[cH:21]3)[cH:14][cH:15]2)[cH:34][cH:35][c:36]([F:38])[cH:37]1

Participants

7

Reactant 6

HCID 887MethanolHCID 888Magnesium Cation2×HCID 962Water7×HCID 6344DichloromethaneHCID 67389190HCID 67389190, compoundHCID 714406072-Oxidooxycarbonylbenzoate2×

Product 1

HCID 59726837HCID 59726837, compound

Sources & evidence

ORD record
ord-56e6d6993cc54f8096c130cae4c475cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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