Potassium Cation → HCID 68675475, compound

HRID 316782

Reaction equation

HRID 316782 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH2:42]([CH3:43])[N:44]1[c:45]2[c:46]([cH:56][c:57]([OH:60])[cH:58][cH:59]2)[N:47]([CH3:55])[C:48](=[O:54])[C:49]([CH3:52])([CH3:53])[C:50]1=[O:51].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[I:12][CH2:13][CH2:14][CH2:15][N:16]([S:17](=[O:18])(=[O:19])[c:20]1[c:21]([N+:26](=[O:27])[O-:28])[cH:22][cH:23][cH:24][cH:25]1)[CH2:29][CH2:30][n:31]1[c:32](=[O:41])[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[cH:39][cH:40]1.[K+:5].[K+:6].[O:7]=[CH:8][N:9]([CH3:10])[CH3:11].[OH2:67]>>[CH2:13]([CH2:14][CH2:15][N:16]([S:17](=[O:18])(=[O:19])[c:20]1[c:21]([N+:26](=[O:27])[O-:28])[cH:22][cH:23][cH:24][cH:25]1)[CH2:29][CH2:30][n:31]1[c:32](=[O:41])[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[cH:39][cH:40]1)[O:60][c:57]1[cH:56][c:46]2[c:45]([cH:59][cH:58]1)[N:44]([CH2:42][CH3:43])[C:50](=[O:51])[C:49]([CH3:52])([CH3:53])[C:48](=[O:54])[N:47]2[CH3:55]

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 68673067HCID 68673067, compoundHCID 686733851-Ethyl-7-hydroxy-3,3,5-trimethyl-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione

Product 1

HCID 68675475HCID 68675475, compound

Sources & evidence

ORD record
ord-369780bcd3d1429ba6a5c90058029820
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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