Methanol → HCID 66699628, compound

HRID 95798Notes

Reaction equation

HRID 95798 reaction equation
[C:13]([CH3:14])(=[O:15])[c:16]1[c:17]([OH:49])[c:18]([CH2:46][CH2:47][CH3:48])[c:19]([S:22][CH2:23][c:24]2[cH:25][cH:26][c:27]([CH:30]([c:31]3[cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37][cH:38]3)[O:39][CH:40]3[CH2:41][CH2:42][CH2:43][CH2:44][O:45]3)[cH:28][cH:29]2)[cH:20][cH:21]1.[CH3:50][OH:51].[OH2:1].[c:2]1([CH3:3])[cH:4][cH:5][c:6]([S:7]([OH:8])(=[O:9])=[O:10])[cH:11][cH:12]1>>[C:13]([CH3:14])(=[O:15])[c:16]1[c:17]([OH:49])[c:18]([CH2:46][CH2:47][CH3:48])[c:19]([S:22][CH2:23][c:24]2[cH:25][cH:26][c:27]([CH:30]([c:31]3[cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37][cH:38]3)[OH:39])[cH:28][cH:29]2)[cH:20][cH:21]1

Participants

5

Reactant 4

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 57884433HCID 57884433, compound

Product 1

HCID 66699628HCID 66699628, compound

Sources & evidence

ORD record
ord-eb812ceb1eba4963b1ada47c8b17a4b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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