Methanol → HCID 57904952, compound

HRID 144658Notes

Reaction equation

HRID 144658 reaction equation
[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][N:36]([S:37](=[O:38])(=[O:39])[Cl:40])[CH3:41].[CH3:43][CH2:44][O-:45].[CH3:49][OH:50].[Cl:46][CH2:47][Cl:48].[NH2:1][C:2]12[c:3]3[n:4]([c:11](=[O:27])[c:12]([OH:26])[c:13]([C:15](=[O:16])[NH:17][CH2:18][c:19]4[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]4)[n:14]3)[CH2:5][CH:6]([CH2:7][CH2:8]1)[CH2:9][CH2:10]2.[Na+:42]>>[NH:1]([C:2]12[c:3]3[n:4]([c:11](=[O:27])[c:12]([OH:26])[c:13]([C:15](=[O:16])[NH:17][CH2:18][c:19]4[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]4)[n:14]3)[CH2:5][CH:6]([CH2:7][CH2:8]1)[CH2:9][CH2:10]2)[S:37]([N:36]([CH3:35])[CH3:41])(=[O:38])=[O:39]

Participants

8

Reactant 7

HCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 83372Dimethylsulphamoyl chlorideHCID 1194401-Hydroxyethyl radicalHCID 5790475010-Amino-N-(4-fluorobenzyl)-3-hydroxy-4-oxo-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxamide

Product 1

HCID 57904952HCID 57904952, compound

Sources & evidence

ORD record
ord-88b8a564bb1c4c8185decf3b8ab0a138
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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