Methanol → Tert-butyl 7-chloro-6-[[5-[2-(4-fluorophenyl)ethenyl]-2-pyridinyl]methylsulfanyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

HRID 86496Notes

Reaction equation

HRID 86496 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[n:23][cH:24][c:25]([C:28]#[C:29][c:30]4[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]4)[cH:26][cH:27]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1.[CH3:47][OH:48].[cH:37]1[cH:38][c:39]2[c:40]([n:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46]1>>[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[n:23][cH:24][c:25]([CH:28]=[CH:29][c:30]4[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]4)[cH:26][cH:27]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1

Participants

4

Reactant 3

HCID 887MethanolHCID 7047QuinolineHCID 667072243-tert-butoxycarbonyl-7-chloro-6-[5-(4-fluorophenylethynyl)-pyridin-2-ylmethylthio]-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Product 1

HCID 66706950Tert-butyl 7-chloro-6-[[5-[2-(4-fluorophenyl)ethenyl]-2-pyridinyl]methylsulfanyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Sources & evidence

ORD record
ord-4bf50454d17d44d2a1d9e66a3186d2a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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