1-Isopropylpiperazine → N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[4-(4-propan-2-ylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

HRID 1555745Notes

Reaction equation

HRID 1555745 reaction equation
[C:10](#[N:11])[C:12]1([NH:15][C:16](=[O:17])[CH:18]2[CH:19]([O:37][CH:38]3[CH2:39][CH2:40][CH2:41][CH2:42]3)[CH2:20][CH:21]([S:23](=[O:24])(=[O:25])[c:26]3[c:27]([C:33]([F:34])([F:35])[F:36])[cH:28][c:29]([Br:32])[cH:30][cH:31]3)[CH2:22]2)[CH2:13][CH2:14]1.[C:43]([C:44]1([NH:45][C:46]([CH:47]2[CH2:48][CH:49]([S:50]([c:51]3[cH:52][cH:53][c:54]([Br:55])[cH:56][c:57]3[C:58]([F:59])([F:60])[F:61])(=[O:62])=[O:63])[CH2:64][CH:65]2[O:66][CH3:67])=[O:68])[CH2:69][CH2:70]1)#[N:71].[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][NH:7][CH2:8][CH2:9]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([c:29]2[cH:28][c:27]([C:33]([F:34])([F:35])[F:36])[c:26]([S:23]([CH:21]3[CH2:20][CH:19]([O:37][CH:38]4[CH2:39][CH2:40][CH2:41][CH2:42]4)[CH:18]([C:16]([NH:15][C:12]4([C:10]#[N:11])[CH2:13][CH2:14]4)=[O:17])[CH2:22]3)(=[O:24])=[O:25])[cH:31][cH:30]2)[CH2:8][CH2:9]1

Participants

4

Reactant 3

HCID 780131-IsopropylpiperazineHCID 723404644-[4-bromo-2-(trifluoromethyl)phenyl]sulfonyl-N-(1-cyanocyclopropyl)-2-methoxycyclopentane-1-carboxamideHCID 1785106124-[4-bromo-2-(trifluoromethyl)phenyl]sulfonyl-N-(1-cyanocyclopropyl)-2-cyclopentyloxycyclopentane-1-carboxamide

Product 1

HCID 178456348N-(1-cyanocyclopropyl)-2-cyclopentyloxy-4-[4-(4-propan-2-ylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

Sources & evidence

ORD record
ord-bbefd669a0f04cecad3fc1faceceafe5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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