Water → 8-(3,5-Dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide

HRID 1205725Notes

Reaction equation

HRID 1205725 reaction equation
[CH2:30]([CH3:31])[N:32]1[CH2:33][CH2:34][N:35]([CH2:38][c:39]2[cH:40][cH:41][c:42]([NH2:45])[n:43][cH:44]2)[CH2:36][CH2:37]1.[CH2:5]([O:7][C:8](=[O:6])[c:10]1[c:11]2[n:12][cH:13][cH:14][n:15][c:16]2[c:17](-[c:20]2[cH:21][c:22]([O:28][CH3:29])[cH:23][c:24]([O:26][CH3:27])[cH:25]2)[cH:18][cH:19]1)[CH3:9].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[OH2:46]>>[O:7]=[C:8]([c:10]1[c:11]2[n:12][cH:13][cH:14][n:15][c:16]2[c:17](-[c:20]2[cH:21][c:22]([O:28][CH3:29])[cH:23][c:24]([O:26][CH3:27])[cH:25]2)[cH:18][cH:19]1)[NH:45][c:42]1[cH:41][cH:40][c:39]([CH2:38][N:35]2[CH2:34][CH2:33][N:32]([CH2:30][CH3:31])[CH2:37][CH2:36]2)[cH:44][n:43]1

Participants

6

Reactant 5

HCID 962WaterHCID 1140TolueneHCID 16682925TrimethylaluminumHCID 454899105-[(4-Ethyl-1-piperazinyl)methyl]-2-pyridinamineHCID 669146908-(3,5-Dimethoxy-phenyl)-quinoxaline-5-carboxylic acid ethyl ester

Product 1

HCID 592929588-(3,5-Dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide

Sources & evidence

ORD record
ord-b91c761b56384267bb050855f9c12f73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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