Methanol → HCID 46945413, compound

HRID 2327271Notes

Reaction equation

HRID 2327271 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([CH2:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][N:22]([c:25]3[c:26]([C:31]([NH:32][c:33]4[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[CH3:42])[cH:37][cH:38]4)=[O:43])[cH:27][cH:28][cH:29][cH:30]3)[CH2:23][CH2:24]2)[c:8]2[cH:9][cH:10][c:11]([Cl:15])[cH:12][c:13]2[cH:14]1.[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[CH3:45][OH:46].[OH2:44]>>[O:3]=[C:4]([OH:5])[c:6]1[n:7]([CH2:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][N:22]([c:25]3[c:26]([C:31]([NH:32][c:33]4[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[CH3:42])[cH:37][cH:38]4)=[O:43])[cH:27][cH:28][cH:29][cH:30]3)[CH2:23][CH2:24]2)[c:8]2[cH:9][cH:10][c:11]([Cl:15])[cH:12][c:13]2[cH:14]1

Participants

5

Reactant 4

HCID 887MethanolHCID 962WaterHCID 312751,4-DioxaneHCID 59548763HCID 59548763, compound

Product 1

HCID 46945413HCID 46945413, compound

Sources & evidence

ORD record
ord-74cbc729aee445cfb39fb3beef673ea8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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