Chloride → 6-(2-(2,4-Difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-isopropyl-[1,2,4]triazolo[4,3-b]pyridazine

HRID 667751Notes

Reaction equation

HRID 667751 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:124][CH2:125][O:126][CH2:127][CH3:128].[Cl-:44].[Cl-:46].[Cl:36][CH2:37][Cl:38].[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11]3[n:12]([c:13]2[I:14])[CH2:15][CH2:16][CH2:17]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[I:18][c:19]1[cH:20][cH:21][c:22]2[n:23]([n:24]1)[c:25]([CH:28]([CH3:29])[CH3:30])[n:26][n:27]2.[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[Zn+2:45].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11]3[n:12]([c:13]2-[c:19]2[cH:20][cH:21][c:22]4[n:23]([n:24]2)[c:25]([CH:28]([CH3:29])[CH3:30])[n:26][n:27]4)[CH2:15][CH2:16][CH2:17]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

10

Reactant 9

HCID 312Chloride2×HCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 32051Zinc(2+)HCID 579298822-(2,4-difluorophenyl)-3-iodo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazoleHCID 579298936-Iodo-3-isopropyl-[1,2,4]triazolo[4,3-b]pyridazineHCID 178420554HCID 178420554, compound

Product 1

HCID 498308026-(2-(2,4-Difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-isopropyl-[1,2,4]triazolo[4,3-b]pyridazine

Sources & evidence

ORD record
ord-efc579f95fb3435ca531f0aced349f1e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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