Bromide ion → 3-tert-butoxycarbonyl-7-chloro-6-(5-cyclohexyl-pyridin-2-ylmethylthio)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

HRID 2140151Notes

Reaction equation

HRID 2140151 reaction equation
[Br-:29].[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][S:9][c:10]2[c:11]([Cl:28])[cH:12][cH:13][c:14]3[c:20]2[CH2:19][CH2:18][N:17]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:16][CH2:15]3)[n:6][cH:7]1.[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH:30]1([Zn+:36])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1>>[c:2]1([CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[cH:3][cH:4][c:5]([CH2:8][S:9][c:10]2[c:11]([Cl:28])[cH:12][cH:13][c:14]3[c:20]2[CH2:19][CH2:18][N:17]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:16][CH2:15]3)[n:6][cH:7]1

Participants

5

Reactant 4

HCID 259Bromide ionHCID 8028TetrahydrofuranHCID 576562493-tert-butoxycarbonyl-6-(5-bromopyridin-2-ylmethylthio)-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepineHCID 178528064HCID 178528064, compound

Product 1

HCID 667067593-tert-butoxycarbonyl-7-chloro-6-(5-cyclohexyl-pyridin-2-ylmethylthio)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Sources & evidence

ORD record
ord-bf617042c9b744e4a65a64cd3c696d3a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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