Hydrochloric Acid → 2-(2-Isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-8-oxetan-3-yl-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

HRID 2136501Notes

Reaction equation

HRID 2136501 reaction equation
[CH3:47][SiH:48]([CH3:49])[N:50]([CH3:51])[Si:52]([CH3:53])([CH3:54])[CH3:55].[CH3:60][S:61]([CH3:62])=[O:63].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6]([CH3:32])[n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([B:23]3[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[ClH:38].[I:33][CH:34]1[CH2:35][O:36][CH2:37]1.[NH2:39][CH:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH:45]1[OH:46].[Na:56].[Ni:57]([I:58])[I:59]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6]([CH3:32])[n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:34]3[CH2:35][O:36][CH2:37]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 232862-AminocyclohexanolHCID 26038Nickel(II) iodideHCID 589711N-dimethylsilyl-N-trimethylsilylmethanamineHCID 5360545SodiumHCID 133566863-IodooxetaneHCID 582038472-(2-Isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-8-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

Product 1

HCID 582038562-(2-Isopropyl-5-methyl-2H-[1,2,4]triazol-3-yl)-8-oxetan-3-yl-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

Sources & evidence

ORD record
ord-539637ea3a8d4e1bb8b6a037675796ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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