Sodium ion → HCID 86585356, compound

HRID 2132072Notes

Reaction equation

HRID 2132072 reaction equation
[Cl:39][CH2:40][Cl:41].[Cl:8][c:9]1[c:10]([Cl:36])[c:11]2[c:12]3[c:13]([n:14]([CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[c:15]2[cH:16][cH:17]1)[CH2:24][CH2:25][N:26]([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:27][CH2:28]3.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:38].[OH-:37]>>[Cl:8][c:9]1[c:10]([Cl:36])[c:11]2[c:12]3[c:13]([n:14]([CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[c:15]2[cH:16][cH:17]1)[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 22396818tert-Butyl 9,10-dichloro-6-(2-ethoxy-2-oxoethyl)-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate

Product 1

HCID 86585356HCID 86585356, compound

Sources & evidence

ORD record
ord-3e13d532f79d4b78b9a70a192f9010fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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