Acetate → {2-[2-(2,4-Difluoro-phenyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-1-thia-10-aza-benzo[e]azulen-9-yl}-(1-methyl-pyrrolidin-3-ylmethyl)-amine

HRID 2131724Notes

Reaction equation

HRID 2131724 reaction equation
[CH2:37]([N:38]1[CH2:39][CH2:40][N:41]2[CH2:42][CH2:43][N:44]([CH2:45][CH2:46][CH2:47][CH3:48])[P:49]1[N:50]([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56]2)[CH2:57][CH2:58][CH3:59].[CH3:29][N:30]1[CH2:31][CH:32]([CH2:35][NH2:36])[CH2:33][CH2:34]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:28]1)-[c:7]1[s:8][c:9](-[c:15]3[n:16](-[c:20]4[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]4)[n:17][cH:18][n:19]3)[cH:10][c:11]1[CH2:12][CH2:13][O:14]2.[O-:67][C:68]([CH3:69])=[O:70].[O-:71][C:72]([CH3:73])=[O:74].[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[Pd+2:66]>>[c:2]1([NH:36][CH2:35][CH:32]2[CH2:31][N:30]([CH3:29])[CH2:34][CH2:33]2)[cH:3][cH:4][c:5]2[c:6]([n:28]1)-[c:7]1[s:8][c:9](-[c:15]3[n:16](-[c:20]4[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]4)[n:17][cH:18][n:19]3)[cH:10][c:11]1[CH2:12][CH2:13][O:14]2

Participants

7

Reactant 6

HCID 175Acetate2×HCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 17389965(1-Methylpyrrolidin-3-yl)methanamineHCID 575886892,8,9-Tributyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecaneHCID 579003099-Chloro-2-[2-(2,4-difluoro-phenyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-1-thia-10-aza-benzo[e]azulene

Product 1

HCID 58203978{2-[2-(2,4-Difluoro-phenyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-1-thia-10-aza-benzo[e]azulen-9-yl}-(1-methyl-pyrrolidin-3-ylmethyl)-amine

Sources & evidence

ORD record
ord-0846a5b4864c4a399049ff0dcaf85908
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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