Dichloromethane → Benzo[1,3]dioxol-4-yl-(2-chloro-5-methyl-pyrimidin-4-yl)-amine

HRID 1202809Notes

Reaction equation

HRID 1202809 reaction equation
[Br:10][c:11]1[cH:12][cH:13][cH:14][c:15]2[c:19]1[O:18][CH2:17][O:16]2.[C:20](=[O:21])([O-:22])[O-:23].[Cl:1][c:2]1[n:3][cH:4][c:5]([CH3:9])[c:6]([NH2:8])[n:7]1.[Cl:32][CH2:33][Cl:34].[Cs+:24].[Cs+:25].[O:26]1[CH2:27][CH2:28][O:29][CH2:30][CH2:31]1.[O:37]=[C:38]([CH:39]=[CH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[Pd:35].[Pd:36]>>[Cl:1][c:2]1[n:3][cH:4][c:5]([CH3:9])[c:6]([NH:8][c:11]2[cH:12][cH:13][cH:14][c:15]3[c:19]2[O:18][CH2:17][O:16]3)[n:7]1

Participants

9

Reactant 8

HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 27761894-Bromo-1,3-benzodioxoleHCID 43021752-Chloro-5-methylpyrimidin-4-amine

Product 1

HCID 57674946Benzo[1,3]dioxol-4-yl-(2-chloro-5-methyl-pyrimidin-4-yl)-amine

Sources & evidence

ORD record
ord-ba1f5f05b2254f5f85a6147bcd64c874
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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