Hydrochloric Acid → Hydrochloric Acid

HRID 1115199Notes

Reaction equation

HRID 1115199 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]3[c:17]([cH:34][n:35]2)-[c:18]2[n:19][c:20](-[c:26]4[n:27]([CH:31]([CH3:32])[CH3:33])[n:28][cH:29][n:30]4)[cH:21][n:22]2[CH2:23][CH2:24][O:25]3)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:40][OH:41].[Cl:37][CH2:38][Cl:39].[ClH:36].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1>>[ClH:36].[NH:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]3[c:17]([cH:34][n:35]2)-[c:18]2[n:19][c:20](-[c:26]4[n:27]([CH:31]([CH3:32])[CH3:33])[n:28][cH:29][n:30]4)[cH:21][n:22]2[CH2:23][CH2:24][O:25]3)[CH2:12][CH2:13]1

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 582045224-[2(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a,9-triaza-benzo[e]azulen-8-yl]-piperidine-1-carboxylic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 5820482512-Piperidin-4-yl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)-9-oxa-3,6,13-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene

Sources & evidence

ORD record
ord-35d95c18081e495397381916ed25f7e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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