Acetone → HCID 178491521, compound

HRID 182959Notes

Reaction equation

HRID 182959 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][C:9](=[O:10])[C:11]2=[C:18]([CH2:19][Cl:20])[CH2:17][S:16][CH:15]3[N:12]2[C:13](=[O:64])[CH:14]3[NH:21][C:22]([C:23](=[N:24][O:25][CH:26]([c:27]2[cH:28][c:29]([O:37][C:38]([CH3:39])=[O:40])[c:30]([O:33][C:34]([CH3:35])=[O:36])[cH:31][cH:32]2)[C:41](=[O:42])[O:43][CH:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[n:58][c:59]([NH2:62])[s:60][cH:61]2)=[O:63])[cH:65][cH:66]1.[CH3:70][C:71](=[O:72])[CH3:73].[I-:68].[Na+:67].[OH2:69]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][C:9](=[O:10])[C:11]2=[C:18]([CH2:19][I:68])[CH2:17][S:16][CH:15]3[N:12]2[C:13](=[O:64])[CH:14]3[NH:21][C:22]([C:23](=[N:24][O:25][CH:26]([c:27]2[cH:28][c:29]([O:37][C:38]([CH3:39])=[O:40])[c:30]([O:33][C:34]([CH3:35])=[O:36])[cH:31][cH:32]2)[C:41](=[O:42])[O:43][CH:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[n:58][c:59]([NH2:62])[s:60][cH:61]2)=[O:63])[cH:65][cH:66]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 923Sodium ionHCID 962WaterHCID 30165Iodide IonHCID 178491513HCID 178491513, compound

Product 1

HCID 178491521HCID 178491521, compound

Sources & evidence

ORD record
ord-d9048b38d0454a2f95ea474b0e76d7a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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