Hydrochloric Acid → Hydrochloric Acid

HRID 179370Notes

Reaction equation

HRID 179370 reaction equation
[Cl:46][CH2:47][Cl:48].[ClH:45].[F:1][c:2]1[c:3]([C:33]2([NH:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:34][CH2:35][CH2:36]2)[cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:26]3[c:27]([CH3:32])[cH:28][cH:29][cH:30][cH:31]3)[n:10][c:11]3[n:12]2-[c:13]2[c:14]([n:22][cH:23][cH:24][cH:25]2)[NH:15][c:16]2[c:17]-3[cH:18][cH:19][cH:20][cH:21]2)[cH:7]1.[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1>>[ClH:45].[F:1][c:2]1[c:3]([C:33]2([NH2:37])[CH2:34][CH2:35][CH2:36]2)[cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:26]3[c:27]([CH3:32])[cH:28][cH:29][cH:30][cH:31]3)[n:10][c:11]3[n:12]2-[c:13]2[c:14]([n:22][cH:23][cH:24][cH:25]2)[NH:15][c:16]2[c:17]-3[cH:18][cH:19][cH:20][cH:21]2)[cH:7]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 69087650tert-butyl (1-(2-fluoro-4-(2-(o-tolyl)-9H-benzo[f]imidazo[1,2-d]pyrido[2,3-b][1,4]diazepin-3-yl)phenyl)cyclobutyl)carbamate

Product 2

HCID 313Hydrochloric AcidHCID 675038231-[2-Fluoro-4-[4-(2-methylphenyl)-2,5,13,15-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl]phenyl]cyclobutan-1-amine

Sources & evidence

ORD record
ord-c0f72e12512343dcb827c6d6971716c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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