Hydrochloric Acid → Propane-1-sulfonic Acid 4-(3,6-dimethyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-2-fluoro-benzylamide

HRID 307890Notes

Reaction equation

HRID 307890 reaction equation
[CH2:1]([CH2:2][CH3:3])[S:4](=[O:5])(=[O:6])[Cl:7].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[Cl:43][CH2:44][Cl:45].[ClH:8].[NH2:9][CH2:10][c:11]1[c:12]([F:35])[cH:13][c:14]([C:17](=[O:18])[N:19]2[c:20]3[c:21]([cH:30][c:31]([CH3:34])[cH:32][cH:33]3)[NH:22][c:23]3[n:24]([CH3:29])[n:25][cH:26][c:27]3[CH2:28]2)[cH:15][cH:16]1>>[CH2:1]([CH2:2][CH3:3])[S:4](=[O:5])(=[O:6])[NH:9][CH2:10][c:11]1[c:12]([F:35])[cH:13][c:14]([C:17](=[O:18])[N:19]2[c:20]3[c:21]([cH:30][c:31]([CH3:34])[cH:32][cH:33]3)[NH:22][c:23]3[n:24]([CH3:29])[n:25][cH:26][c:27]3[CH2:28]2)[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 662791-Propanesulfonyl chlorideHCID 135736010[4-(Aminomethyl)-3-fluorophenyl]-(1,8-dimethyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone

Product 1

HCID 136128433Propane-1-sulfonic Acid 4-(3,6-dimethyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-2-fluoro-benzylamide

Sources & evidence

ORD record
ord-992b4b1d0d024a38865a49dbc922e270
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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