Hydrochloric Acid → N-[4-(6-Chloro-3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-2-fluoro-benzyl]-isobutyramide

HRID 1208800Notes

Reaction equation

HRID 1208800 reaction equation
[C:10]([CH:11]([CH3:12])[CH3:13])(=[O:14])[Cl:15].[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]([Cl: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>>[C:10]([CH:11]([CH3:12])[CH3:13])(=[O:14])[NH: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]([Cl: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

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 62325Isobutyryl chlorideHCID 81531DiisopropylethylamineHCID 136128347[4-(Aminomethyl)-3-fluorophenyl]-(8-chloro-1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone

Product 1

HCID 135735995N-[4-(6-Chloro-3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-2-fluoro-benzyl]-isobutyramide

Sources & evidence

ORD record
ord-0b7e3ee999ad4c7480ff1030a7fbb664
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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