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Sodium Ion → (2'-Ethyl-5'-phenyl-1H,2'H-[3,3']bipyrazolyl-5-ylmethyl)-carbamic Acid Methyl Ester

HRID 1208015
Notes
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Reaction equation

HRID 1208015 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][c:9]1[cH:10][c:11](-[c:14]2[n:15]([CH2:25][CH3:26])[n:16][c:17](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:18]2)[n:12][nH:13]1)=[O:27].[CH3:35][O:36][C:37]([n:38]1[cH:39][cH:40][n:41][cH:42]1)=[O:43].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:44][CH2:45][Cl:46].[Na+:58].[OH:28][C:29]([C:30]([F:31])([F:32])[F:33])=[O:34].[S:53](=[O:54])(=[O:55])([OH:56])[O-:57]>>[CH3:1][O:5][C:6]([NH:7][CH2:8][c:9]1[cH:10][c:11](-[c:14]2[n:15]([CH2:25][CH3:26])[n:16][c:17](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:18]2)[n:12][nH:13]1)=[O:27]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 923Sodium IonHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 61778Sulfate, hydrogenHCID 580911Methyl 1H-imidazole-1-carboxylateHCID 10133577
(2'-Ethyl-5'-phenyl-1H,2'H-[3,3']bipyrazolyl-5-ylmethyl)-carbamic Acid Tert-Butyl Ester

Product 1

HCID 9858466(2'-Ethyl-5'-phenyl-1H,2'H-[3,3']bipyrazolyl-5-ylmethyl)-carbamic Acid Methyl Ester

Sources & evidence

ORD record
ord-ea51df74931643a683b3856d301a1c15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes