Dichloromethane → 7-chloro-6-{4-[2-(cyclopropylmethyl-amino)-thiazol-4-yl]-phenylthiomethyl}-2,3,4,5-tetrahydro-1H-benzo[d]azepine

HRID 193908Notes

Reaction equation

HRID 193908 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([CH2:20][S:21][c:22]3[cH:23][cH:24][c:25](-[c:28]4[n:29][c:30]([NH:33][CH2:34][CH:35]5[CH2:36][CH2:37]5)[s:31][cH:32]4)[cH:26][cH:27]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:7].[Cl:45][CH2:46][Cl:47].[OH:38][C:39]([C:40]([F:41])([F:42])[F:43])=[O:44]>>[NH:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([CH2:20][S:21][c:22]3[cH:23][cH:24][c:25](-[c:28]4[n:29][c:30]([NH:33][CH2:34][CH:35]5[CH2:36][CH2:37]5)[s:31][cH:32]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 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 866237093-tert-butoxycarbonyl-7-chloro-6-{4-[2-(cyclopropylmethyl-amino)-thiazol-4-yl]-phenylthiomethyl}-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Product 1

HCID 598222837-chloro-6-{4-[2-(cyclopropylmethyl-amino)-thiazol-4-yl]-phenylthiomethyl}-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Sources & evidence

ORD record
ord-0cca5706f7504686835f29f889c7b4d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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