Dichloromethane → 7-chloro-6-[5-(cyclopropylmethyl-amino)-[1,3,4]thiadiazol-2-ylthiomethyl]-2,3,4,5-tetrahydro-1H-benzo[d]azepine

HRID 1545911Notes

Reaction equation

HRID 1545911 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[s:23][c:24]([NH:27][CH2:28][CH:29]4[CH2:30][CH2:31]4)[n:25][n:26]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:7].[Cl:39][CH2:40][Cl:41].[OH:32][C:33]([C:34]([F:35])([F:36])[F:37])=[O:38]>>[NH:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([CH2:20][S:21][c:22]3[s:23][c:24]([NH:27][CH2:28][CH:29]4[CH2:30][CH2:31]4)[n:25][n:26]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 598223173-tert-Butoxycarbonyl-7-chloro-6-[5-(cyclopropylmethyl-amino)-[1,3,4]thiadiazol-2-ylthiomethyl]-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Product 1

HCID 598223037-chloro-6-[5-(cyclopropylmethyl-amino)-[1,3,4]thiadiazol-2-ylthiomethyl]-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Sources & evidence

ORD record
ord-a9cd0591b18741bfa345821abc3da70b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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