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

HRID 281792Notes

Reaction equation

HRID 281792 reaction equation
[C:57](=[O:58])([O-:59])[O-:60].[CH3:31][c:32]1[c:33]2[c:34]([cH:35][c:36]([B:37]3[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[CH2:45]3)[cH:46][cH:47]2)[n:48][c:49](-[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56]1.[CH:1]1([c:5]2[n:6][c:7](-[c:15]3[cH:16][cH:17][c:18]4[cH:19][cH:20][c:21](-[c:25]5[cH:26][cH:27][cH:28][cH:29][cH:30]5)[n:22][c:23]4[cH:24]3)[c:8]3[c:9]([NH2:14])[n:10][cH:11][n:12][n:13]23)[CH2:2][CH2:3][CH2:4]1.[Cs+:61].[Cs+:62]>>[CH:1]1([c:5]2[n:6][c:7](-[c:15]3[cH:16][cH:17][c:18]4[c:19]([CH3:31])[cH:20][c:21](-[c:25]5[cH:26][cH:27][cH:28][cH:29][cH:30]5)[n:22][c:23]4[cH:24]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 19660Carbonate IonHCID 104967Cesium cation2×HCID 115020537-Cyclobutyl-5-(2-phenyl-quinolin-7-yl)-imidazo[5,1-f][1,2,4]triazin-4-ylamineHCID 688293904-Methyl-2-phenyl-7-(4,4,5,5-tetramethyl-[2,3,2]dioxaborolan-2-yl)-quinoline

Product 1

HCID 117041707-Cyclobutyl-5-(4-methyl-2-phenyl-quinolin-7-yl)-imidazo[5,1-f][1,2,4]triazin-4-ylamine

Sources & evidence

ORD record
ord-d2c339fbe7cc4a08b0ced2facef82d2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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