Hydrochloric Acid → Hydrochloric Acid

HRID 1237701Notes

Reaction equation

HRID 1237701 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]([C:16]([CH2:17][CH2:18][c:19]2[c:20]([CH3:42])[cH:21][c:22]([C:25](=[O:26])[N:27]3[c:28]4[c:29]([cH:38][cH:39][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)=[O:43])[CH:44]2[CH2:45][CH2:46]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[ClH:47].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1>>[ClH:47].[NH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]([C:16]([CH2:17][CH2:18][c:19]2[c:20]([CH3:42])[cH:21][c:22]([C:25](=[O:26])[N:27]3[c:28]4[c:29]([cH:38][cH:39][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)=[O:43])[CH:44]2[CH2:45][CH2:46]2)[CH2:12][CH2:13]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 1361283784-[(Cyclopropyl-{3-[2-methyl-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-phenyl]-propionyl}-amino)-methyl]-piperidine-1-carboxylic Acid Tert-butyl Ester

Product 2

HCID 313Hydrochloric AcidHCID 136128383N-cyclopropyl-3-[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]-N-(piperidin-4-ylmethyl)propanamide

Sources & evidence

ORD record
ord-4a9b20158f1844279627ff105bd56dd6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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