Potassium Cation → {2-[(2,3-Dimethoxy-quinoxalin-6-ylmethyl)-amino]-5-prop-2-ynyloxy-phenyl}-(4-isopropyl-phenyl)-methanone

HRID 1213644Notes

Reaction equation

HRID 1213644 reaction equation
[Br:29][CH2:30][c:31]1[cH:32][c:33]2[n:34][c:35]([O:43][CH3:44])[c:36]([O:41][CH3:42])[n:37][c:38]2[cH:39][cH:40]1.[C:23](=[O:24])([O-:25])[O-:26].[K+:27].[K+:28].[NH2:1][c:2]1[c:3]([C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([CH:20]([CH3:21])[CH3:22])[cH:18][cH:19]2)[cH:4][c:5]([O:8][CH2:9][C:10]#[CH:11])[cH:6][cH:7]1.[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:51]>>[NH:1]([c:2]1[c:3]([C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([CH:20]([CH3:21])[CH3:22])[cH:18][cH:19]2)[cH:4][c:5]([O:8][CH2:9][C:10]#[CH:11])[cH:6][cH:7]1)[CH2:30][c:31]1[cH:32][c:33]2[n:34][c:35]([O:43][CH3:44])[c:36]([O:41][CH3:42])[n:37][c:38]2[cH:39][cH:40]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 205454506-Bromomethyl-2,3-dimethoxy-quinoxalineHCID 45139628(2-Amino-5-(prop-2-yn-1-yloxy)phenyl)(4-isopropylphenyl)methanone

Product 1

HCID 11755527{2-[(2,3-Dimethoxy-quinoxalin-6-ylmethyl)-amino]-5-prop-2-ynyloxy-phenyl}-(4-isopropyl-phenyl)-methanone

Sources & evidence

ORD record
ord-417032fa17454f04b5f2a2d3824b3bda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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