Methanol → HCID 178442305, compound

HRID 2122259Notes

Reaction equation

HRID 2122259 reaction equation
[CH3:1][C:2]1([CH3:42])[O:3][CH2:4][CH:5]([CH2:7][n:8]2[n:9][c:10]([NH:13][C:14](=[O:15])[CH:16]3[NH:17][CH:18]([CH2:37][C:38]([CH3:39])([CH3:40])[CH3:41])[C:19]([C:28]#[N:29])([c:30]4[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]4)[CH:20]3[c:21]3[cH:22][c:23]([Cl:27])[cH:24][cH:25][cH:26]3)[cH:11][cH:12]2)[O:6]1.[CH3:60][OH:61].[c:43]1([CH3:44])[cH:45][cH:46][c:47]([S:48]([OH:49])(=[O:50])=[O:51])[cH:52][cH:53]1.[nH+:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[OH:3][CH2:4][CH:5]([OH:6])[CH2:7][n:8]1[n:9][c:10]([NH:13][C:14](=[O:15])[CH:16]2[NH:17][CH:18]([CH2:37][C:38]([CH3:39])([CH3:40])[CH3:41])[C:19]([C:28]#[N:29])([c:30]3[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]3)[CH:20]2[c:21]2[cH:22][c:23]([Cl:27])[cH:24][cH:25][cH:26]2)[cH:11][cH:12]1

Participants

5

Reactant 4

HCID 887MethanolHCID 6101p-Toluenesulfonic acidHCID 4989215PyridiniumHCID 178442304HCID 178442304, compound

Product 1

HCID 178442305HCID 178442305, compound

Sources & evidence

ORD record
ord-b585eb2de2d2491e9b735f3fb330df4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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