Sodium ion → HCID 178437624, compound

HRID 2326173Notes

Reaction equation

HRID 2326173 reaction equation
[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5]([CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[c:21](-[c:26]4[n:27][n:28][n:29][n:30]4[C:31]([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)([c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[cH:22][cH:23][cH:24][cH:25]3)[cH:18][cH:19]2)[c:6]([CH:11]=[O:12])[c:7]([CH:9]=[CH2:10])[n:8]1.[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[Na+:59].[OH-:58].[OH2:57].[OH:50][C:51]([C:52]([F:53])([F:54])[F:55])=[O:56]>>[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5]([CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[c:21](-[c:26]4[n:27][n:28][n:29][nH:30]4)[cH:22][cH:23][cH:24][cH:25]3)[cH:18][cH:19]2)[c:6]([CH:11]=[O:12])[c:7]([CH:9]=[CH2:10])[n:8]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 18962496HCID 18962496, compound

Product 1

HCID 178437624HCID 178437624, compound

Sources & evidence

ORD record
ord-88a5c493f44a43ec9e3b02e048616d98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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