Hydrochloric Acid → (6-Chloro-3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulen-9-yl)-(4-hexylaminomethyl-cyclohexyl)-methanone

HRID 2138969Notes

Reaction equation

HRID 2138969 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[ClH:8].[NH2:9][CH2:10][CH:11]1[CH2:12][CH2:13][CH:14]([C:17](=[O:18])[N:19]2[c:20]3[c:21]([cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[NH:22][c:23]3[n:24]([CH3:29])[n:25][cH:26][c:27]3[CH2:28]2)[CH2:15][CH2:16]1.[O:35]=[CH:36][N:37]([CH3:38])[CH3:39]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[NH:9][CH2:10][CH:11]1[CH2:12][CH2:13][CH:14]([C:17](=[O:18])[N:19]2[c:20]3[c:21]([cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[NH:22][c:23]3[n:24]([CH3:29])[n:25][cH:26][c:27]3[CH2:28]2)[CH2:15][CH2:16]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 81011-BromohexaneHCID 8471TriethylamineHCID 135736043[4-(Aminomethyl)cyclohexyl]-(8-chloro-1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone

Product 1

HCID 136128444(6-Chloro-3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulen-9-yl)-(4-hexylaminomethyl-cyclohexyl)-methanone

Sources & evidence

ORD record
ord-80937c7a73fb44e9b3a94dbd0eec0c26
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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