Sodium ion → HCID 68884723, compound

HRID 312498Notes

Reaction equation

HRID 312498 reaction equation
[CH3:30][S:31](=[O:32])(=[O:33])[Cl:34].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[H-:47].[Na+:48].[OH2:55].[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([N:9]([C:10]([O:11][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16])[CH2:17][c:18]2[n:19][c:20](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[o:21][c:22]2[CH3:23])[cH:7][cH:8]1.[OH:35][c:36]1[c:37]([CH2:42][C:43](=[O:44])[O:45][CH3:46])[cH:38][cH:39][cH:40][cH:41]1>>[O:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([N:9]([C:10]([O:11][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16])[CH2:17][c:18]2[n:19][c:20](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[o:21][c:22]2[CH3:23])[cH:7][cH:8]1)[c:36]1[c:37]([CH2:42][C:43](=[O:44])[O:45][CH3:46])[cH:38][cH:39][cH:40][cH:41]1

Participants

10

Reactant 9

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 31297Methanesulfonyl chlorideHCID 89719Methyl (2-hydroxyphenyl)acetateHCID 166653HydrideHCID 68886047HCID 68886047, compound

Product 1

HCID 68884723HCID 68884723, compound

Sources & evidence

ORD record
ord-0cd620f487324d2796be2d22feb02952
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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