Dichloromethane → Tert-butyl 6-[[4-(butan-2-ylcarbamoyl)-3-fluorophenyl]methylsulfanyl]-7-chloro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

HRID 2162631Notes

Reaction equation

HRID 2162631 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][CH2:21][c:22]3[cH:23][c:24]([F:31])[c:25]([C:28](=[O:29])[Cl:30])[cH:26][cH:27]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1.[CH:32]([CH3:33])([CH2:34][CH3:35])[NH2:36].[Cl:37][CH2:38][Cl:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][CH2:21][c:22]3[cH:23][c:24]([F:31])[c:25]([C:28](=[O:29])[NH:36][CH:32]([CH3:33])[CH2:34][CH3:35])[cH:26][cH:27]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 24874Sec-ButylamineHCID 866616553-tert-Butoxycarbonyl-7-chloro-6-(4-chlorocarbonyl-3-fluorobenzylthio)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Product 1

HCID 66707010Tert-butyl 6-[[4-(butan-2-ylcarbamoyl)-3-fluorophenyl]methylsulfanyl]-7-chloro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Sources & evidence

ORD record
ord-c2497a8685954c2494ece1e7f9dd4eaa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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