Chloride → HCID 21873464, compound

HRID 1550840Notes

Reaction equation

HRID 1550840 reaction equation
[C:37]([C:38]([NH3+:39])([C:40](=[O:41])[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48])[C:49](=[O:50])[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH3:57])(=[O:58])[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH3:65].[CH3:11][N:12]([CH2:13][CH2:14][O:15][c:16]1[cH:17][cH:18][c:19](-[n:22]2[c:23](=[O:34])[n:24](-[c:27]3[cH:28][cH:29][c:30]([OH:33])[cH:31][cH:32]3)[cH:25][cH:26]2)[cH:20][cH:21]1)[CH3:35].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[Cl-:36].[K+:67].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([F:10])[cH:6][cH:7][cH:8][cH:9]1.[OH-:66]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([O:33][c:30]2[cH:29][cH:28][c:27](-[n:24]3[c:23](=[O:34])[n:22](-[c:19]4[cH:18][cH:17][c:16]([O:15][CH2:14][CH2:13][N:12]([CH3:11])[CH3:35])[cH:21][cH:20]4)[cH:26][cH:25]3)[cH:32][cH:31]2)[cH:6][cH:7][cH:8][cH:9]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 813Potassium CationHCID 961HydroxideHCID 1140TolueneHCID 738951-Fluoro-2-nitrobenzeneHCID 21873309HCID 21873309, compoundHCID 178443786HCID 178443786, compound

Product 1

HCID 21873464HCID 21873464, compound

Sources & evidence

ORD record
ord-5df69ca5ec8541ffb842c9b817342b4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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