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

HRID 1113398Notes

Reaction equation

HRID 1113398 reaction equation
[CH:10]1([C:13](=[O:14])[Cl:15])[CH2:11][CH2:12]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:44][CH2:45][Cl:46].[ClH:16].[NH2:17][CH2:18][c:19]1[c:20]([F:43])[cH:21][c:22]([C:25](=[O:26])[N:27]2[c:28]3[c:29]([cH:38][c:39]([CH3:42])[cH:40][cH:41]3)[NH:30][c:31]3[n:32]([CH3:37])[n:33][cH:34][c:35]3[CH2:36]2)[cH:23][cH:24]1>>[CH:10]1([C:13](=[O:14])[NH:17][CH2:18][c:19]2[c:20]([F:43])[cH:21][c:22]([C:25](=[O:26])[N:27]3[c:28]4[c:29]([cH:38][c:39]([CH3:42])[cH:40][cH:41]4)[NH:30][c:31]4[n:32]([CH3:37])[n:33][cH:34][c:35]4[CH2:36]3)[cH:23][cH:24]2)[CH2:11][CH2:12]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 77637Cyclopropanecarbonyl chlorideHCID 81531DiisopropylethylamineHCID 135736010[4-(Aminomethyl)-3-fluorophenyl]-(1,8-dimethyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone

Product 1

HCID 136128374Cyclopropanecarboxylic 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-0a19de759abf408fb31073ae5bfdf922
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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