2,2,2-Trifluoroethyl-methanesulfonate → [5-(4-Isopropyl-piperazine-1-carbonyl)-1-(2,2,2-trifluoro-ethyl)-1H-indol-2-yl]-(4-methanesulfonyl-piperazin-1-yl)-methanone

HRID 1561431Notes

Reaction equation

HRID 1561431 reaction equation
[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[c:12]2[cH:13][c:14]3[cH:15][c:16]([C:21](=[O:22])[N:23]4[CH2:24][CH2:25][N:26]([S:29](=[O:30])(=[O:31])[CH3:32])[CH2:27][CH2:28]4)[nH:17][c:18]3[cH:19][cH:20]2)[CH2:8][CH2:9]1.[F:33][C:34]([CH2:35][CH2:36][S:37]([O-:38])(=[O:39])=[O:40])([F:41])[F:42]>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([C:10](=[O:11])[c:12]2[cH:13][c:14]3[cH:15][c:16]([C:21](=[O:22])[N:23]4[CH2:24][CH2:25][N:26]([S:29](=[O:30])(=[O:31])[CH3:32])[CH2:27][CH2:28]4)[n:17]([CH2:35][C:34]([F:33])([F:41])[F:42])[c:18]3[cH:19][cH:20]2)[CH2:8][CH2:9]1

Participants

3

Reactant 2

HCID 214700162,2,2-Trifluoroethyl-methanesulfonateHCID 68538245[5-(4-Isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(4-methanesulfonyl-piperazin-1-yl)-methanone

Product 1

HCID 68535572[5-(4-Isopropyl-piperazine-1-carbonyl)-1-(2,2,2-trifluoro-ethyl)-1H-indol-2-yl]-(4-methanesulfonyl-piperazin-1-yl)-methanone

Sources & evidence

ORD record
ord-b2c69d71805946779dcd542ca01b488e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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