Potassium Cation → HCID 67371851, compound

HRID 201669Notes

Reaction equation

HRID 201669 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[CH:6]([I:18])[NH:7][C:8]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:9]1[CH2:10][OH:11].[CH2:23]([n:24]1[c:25]([CH2:26][N:33]([CH2:27][c:28]2[cH:29][cH:30][c:31]3[c:47]([cH:48]2)[O:46][CH2:45][CH2:44][O:32]3)[CH2:34][c:35]2[cH:36][c:37]([O:41][CH2:42][CH3:43])[cH:38][cH:39][cH:40]2)[c:49]([Cl:50])[n:51][c:52]1[N:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1)[CH2:59][CH2:60][CH3:61].[CH2:62]([O:63][NH:64][CH2:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH3:72].[Cl:79][CH2:80][Cl:81].[K+:73].[K+:74].[O-:75][C:76]([O-:77])=[O:78].[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[S:19]([Cl:20])([Cl:21])=[O:22]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[CH:6]([I:18])[NH:7][C:8]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:9]1[CH2:10][NH:33][CH2:34][c:35]1[cH:36][c:37]([O:41][CH2:42][CH3:43])[cH:38][cH:39][cH:40]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 24386Thionyl ChlorideHCID 18794272Benzyl(ethoxy)amineHCID 58786323HCID 58786323, compoundHCID 67370923HCID 67370923, compound

Product 1

HCID 67371851HCID 67371851, compound

Sources & evidence

ORD record
ord-d2b6d3092fc64f1e8bec1da25beeff69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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