Methanol → HCID 68677252, compound

HRID 294408Notes

Reaction equation

HRID 294408 reaction equation
[CH3:55][OH:56].[NH2:1][c:2]1[n:3][cH:4][c:5]([CH:32]=[CH:33][CH2:34][CH2:35][O:36][CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][O:42]2)[c:6]2[c:7]1[c:8](-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]3[n:21]([CH3:29])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[cH:28]3)[cH:15][cH:16]1)[cH:9][s:10]2.[OH2:43].[c:44]1([CH3:45])[cH:46][cH:47][c:48]([S:49]([OH:50])(=[O:51])=[O:52])[cH:53][cH:54]1>>[NH2:1][c:2]1[n:3][cH:4][c:5]([CH:32]=[CH:33][CH2:34][CH2:35][OH:36])[c:6]2[c:7]1[c:8](-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]3[n:21]([CH3:29])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[cH:28]3)[cH:15][cH:16]1)[cH:9][s:10]2

Participants

5

Reactant 4

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 68680451HCID 68680451, compound

Product 1

HCID 68677252HCID 68677252, compound

Sources & evidence

ORD record
ord-68ca2d332ec643d0ad0e8921d63842ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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