HCID 66597864, compound → HCID 72327298, compound

HRID 1544890Notes

Reaction equation

HRID 1544890 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([C:10]([F:11])([F:12])[F:13])([C:14]([F:15])([F:16])[F:17])[c:18]1[cH:19][c:20]([CH:34]=[CH:35][CH3:36])[c:21]([N:24]2[CH2:25][CH2:26][N:27]([C:30]([CH2:31][Br:32])=[O:33])[CH2:28][CH2:29]2)[cH:22][cH:23]1.[O:37]1[CH2:38][CH2:39][c:40]2[c:41]1[cH:42][c:43]([C:46]1([CH3:53])[C:47](=[O:52])[NH:48][C:49](=[O:51])[NH:50]1)[cH:44][cH:45]2>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([C:10]([F:11])([F:12])[F:13])([C:14]([F:15])([F:16])[F:17])[c:18]1[cH:19][c:20]([CH:34]=[CH:35][CH3:36])[c:21]([N:24]2[CH2:25][CH2:26][N:27]([C:30]([CH2:31][N:48]3[C:47](=[O:52])[C:46]([c:43]4[cH:42][c:41]5[c:40]([cH:45][cH:44]4)[CH2:39][CH2:38][O:37]5)([CH3:53])[NH:50][C:49]3=[O:51])=[O:33])[CH2:28][CH2:29]2)[cH:22][cH:23]1

Participants

3

Reactant 2

HCID 66597864HCID 66597864, compoundHCID 866471931-(4-{4-[2-(Benzyloxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(prop-1-en-1-yl)phenyl}piperazin-1-yl)-2-bromoethanone

Product 1

HCID 72327298HCID 72327298, compound

Sources & evidence

ORD record
ord-0d3e82e08edf47378511bc2d3a38efba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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