Potassium Cation → 2-{7-[5-(2-Methoxymethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl}-N,N-dimethyl-acetamide

HRID 93563Notes

Reaction equation

HRID 93563 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH3:1][O:2][CH2:3][c:4]1[c:5](-[c:10]2[cH:11][cH:12][cH:13][c:14]3[n:15]2[n:16][c:17]([NH:19][c:20]2[cH:21][c:22]4[c:23]([cH:29][cH:30]2)[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]4)[n:18]3)[cH:6][cH:7][cH:8][cH:9]1.[CH3:46][C:47]#[N:48].[CH:49]([Cl:50])([Cl:51])[Cl:52].[Cl:37][CH2:38][C:39](=[O:40])[N:41]([CH3:42])[CH3:43].[I-:45].[K+:35].[K+:36].[Na+:44]>>[CH3:1][O:2][CH2:3][c:4]1[c:5](-[c:10]2[cH:11][cH:12][cH:13][c:14]3[n:15]2[n:16][c:17]([NH:19][c:20]2[cH:21][c:22]4[c:23]([cH:29][cH:30]2)[CH2:24][CH2:25][N:26]([CH2:38][C:39](=[O:40])[N:41]([CH3:42])[CH3:43])[CH2:27][CH2:28]4)[n:18]3)[cH:6][cH:7][cH:8][cH:9]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 6212ChloroformHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 758862-chloro-N,N-dimethylacetamideHCID 59612550[5-(2-Methoxymethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-amine

Product 1

HCID 596124882-{7-[5-(2-Methoxymethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl}-N,N-dimethyl-acetamide

Sources & evidence

ORD record
ord-aafd00057cc346dbac01a64e296418c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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