Methanol → THRX-195518

HRID 2159534Notes

Reaction equation

HRID 2159534 reaction equation
[CH2:3]([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21]([N:22]([CH3:23])[CH2:24][CH2:25][N:26]3[CH2:27][CH2:28][CH:29]([O:32][C:33]([NH:34][c:35]4[c:36](-[c:41]5[cH:42][cH:43][cH:44][cH:45][cH:46]5)[cH:37][cH:38][cH:39][cH:40]4)=[O:47])[CH2:30][CH2:31]3)=[O:48])[cH:19][cH:20]2)[CH2:12][CH2:13]1.[CH3:49][OH:50].[Na+:2].[OH-:1]>>[O:5]=[C:6]([OH:7])[CH:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21]([N:22]([CH3:23])[CH2:24][CH2:25][N:26]3[CH2:27][CH2:28][CH:29]([O:32][C:33]([NH:34][c:35]4[c:36](-[c:41]5[cH:42][cH:43][cH:44][cH:45][cH:46]5)[cH:37][cH:38][cH:39][cH:40]4)=[O:47])[CH2:30][CH2:31]3)=[O:48])[cH:19][cH:20]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 57459432HCID 57459432, compound

Product 1

HCID 57459433THRX-195518

Sources & evidence

ORD record
ord-fbc6a548997847518d008a6ef6e59b10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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