Dichloromethane → 3-(4-Chloro-phenyl)-1-(4-methoxy-2-methyl-benzyl)-1,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene

HRID 1118088Notes

Reaction equation

HRID 1118088 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][c:11]2[c:12](-[c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[n:13][n:14]([CH2:18][c:19]3[c:20]([CH3:27])[cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]3)[c:15]2[CH2:16][CH2:17]1)([CH3:5])([CH3:6])[CH3:7].[Cl:42][CH2:43][Cl:44].[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41]>>[NH:8]1[CH2:9][CH2:10][c:11]2[c:12](-[c:28]3[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[n:13][n:14]([CH2:18][c:19]3[c:20]([CH3:27])[cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]3)[c:15]2[CH2:16][CH2:17]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 672695893-(4-Chloro-phenyl)-1-(4-methoxy-2-methyl-benzyl)-1,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl ester

Product 1

HCID 597526583-(4-Chloro-phenyl)-1-(4-methoxy-2-methyl-benzyl)-1,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene

Sources & evidence

ORD record
ord-08b356549fcb464395b3e148aa06011b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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