Sodium ion → 7-Cyclobutyl-5-(2-phenyl-quinolin-7-yl)-imidazo[5,1-f][1,2,4]triazin-4-ylamine

HRID 202170Notes

Reaction equation

HRID 202170 reaction equation
[CH:1]1([c:5]2[n:6][c:7]([I:15])[c:8]3[c:9]([NH2:14])[n:10][cH:11][n:12][n:13]23)[CH2:2][CH2:3][CH2:4]1.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[c:16]1(-[c:22]2[n:23][c:24]3[cH:25][c:26]([B:32]4[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[CH2:40]4)[cH:27][cH:28][c:29]3[cH:30][cH:31]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[CH:1]1([c:5]2[n:6][c:7](-[c:26]3[cH:25][c:24]4[n:23][c:22](-[c:16]5[cH:17][cH:18][cH:19][cH:20][cH:21]5)[cH:31][cH:30][c:29]4[cH:28][cH:27]3)[c:8]3[c:9]([NH2:14])[n:10][cH:11][n:12][n:13]23)[CH2:2][CH2:3][CH2:4]1

Participants

5

Reactant 4

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 533286247-Cyclobutyl-5-iodo-imidazo[5,1-f][1,2,4]triazin-4-ylamineHCID 688304652-Phenyl-7-(4,4,5,5-tetramethyl-[2,3,2]dioxaborolan-2-yl)-quinoline

Product 1

HCID 115020537-Cyclobutyl-5-(2-phenyl-quinolin-7-yl)-imidazo[5,1-f][1,2,4]triazin-4-ylamine

Sources & evidence

ORD record
ord-0d15dd518f44453ba3a2e0644f782467
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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