1-Bromooctane → 1-(3-Cyclohexylpropyl)-4-(2,5-difluoro-4-methoxyphenyl)piperazine

HRID 190444

Reaction equation

HRID 190444 reaction equation
[CH2:1]([O:2][c:3]1[cH:4][cH:5][c:6]([N:7]2[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[cH:13][c:14]1[F:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[CH2:22]([Br:23])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30].[CH:47]1([CH2:53][CH2:54][CH2:55][Cl:56])[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[F:31][c:32]1[c:33]([N:41]2[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]2)[cH:34][c:35]([F:40])[c:36]([O:38][CH3:39])[cH:37]1>>[F:31][c:32]1[c:33]([N:41]2[CH2:42][CH2:43][N:44]([CH2:55][CH2:54][CH2:53][CH:47]3[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]3)[CH2:45][CH2:46]2)[cH:34][c:35]([F:40])[c:36]([O:38][CH3:39])[cH:37]1

Participants

5

Reactant 4

HCID 81401-BromooctaneHCID 70762(3-Chloropropyl)cyclohexaneHCID 231114831-(4-Benzyloxy-3-fluorophenyl)piperazineHCID 231114921-(2,5-Difluoro-4-methoxyphenyl)piperazine

Product 1

HCID 231114261-(3-Cyclohexylpropyl)-4-(2,5-difluoro-4-methoxyphenyl)piperazine

Sources & evidence

ORD record
ord-524c7cf998ac422faf655621cccbc69d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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