Acetate → HCID 59514412, compound

HRID 1136794Notes

Reaction equation

HRID 1136794 reaction equation
[Br:41][c:42]1[c:43]2[c:44]3[c:45]([cH:46][c:47](=[O:53])[n:48]([CH3:52])[c:49]3[cH:50][cH:51]1)-[c:54]1[cH:55][cH:56][cH:57][cH:58][c:59]1[C:60]2=[O:61].[C:30](=[O:31])([O-:32])[O-:33].[CH3:26][C:27](=[O:28])[O-:29].[CH3:36][C:37](=[O:38])[O-:39].[CH3:62][OH:63].[Cl:64][c:65]1[cH:66][cH:67][cH:68][cH:69][c:70]1[Cl:71].[I-:40].[K+:25].[K+:34].[K+:35].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:14]3[c:9]([cH:10][cH:11][cH:12][c:13]13)[C:8](=[O:15])[N:7]([c:16]1[c:17]([CH3:23])[cH:18][c:19]([CH3:22])[cH:20][cH:21]1)[C:6]2=[O:24]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:14]3[c:9]([cH:10][cH:11][cH:12][c:13]13)[C:8](=[O:15])[N:7]([c:16]1[c:17]([CH3:23])[cH:18][c:19]([CH3:22])[cH:20][cH:21]1)[C:6]2=[O:24])[c:42]1[c:43]2[c:44]3[c:45]([cH:46][c:47](=[O:53])[n:48]([CH3:52])[c:49]3[cH:50][cH:51]1)-[c:54]1[cH:55][cH:56][cH:57][cH:58][c:59]1[C:60]2=[O:61]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 887MethanolHCID 72391,2-DichlorobenzeneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 664923H-Dibenz[f,ij]isoquinoline-2,7-dione, 6-bromo-3-methyl-HCID 755891H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-2-(2,4-dimethylphenyl)-

Product 1

HCID 59514412HCID 59514412, compound

Sources & evidence

ORD record
ord-7001e713c3c04fad9d46446692c98151
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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