Hydrochloric Acid → Hydrochloric Acid

HRID 673844Notes

Reaction equation

HRID 673844 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:35][cH:36]2)-[c:18]2[n:19][c:20](-[c:26]4[n:27]([CH:32]([CH3:33])[CH3:34])[n:28][c:29]([CH3:31])[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].[CH3:44][OH:45].[ClH:37].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1>>[ClH:37].[NH:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]3[c:17]([cH:35][cH:36]2)-[c:18]2[n:19][c:20](-[c:26]4[n:27]([CH:32]([CH3:33])[CH3:34])[n:28][c:29]([CH3:31])[n:30]4)[cH:21][n:22]2[CH2:23][CH2:24][O:25]3)[CH2:12][CH2:13]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 312751,4-DioxaneHCID 582046604-[2-(2-isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-8-yl]-piperidine-1-carboxylic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 582045042-(5-Methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-9-piperidin-4-yl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine

Sources & evidence

ORD record
ord-e54b2b7b91da4b7eac9d017cd2cd9bec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…