Hydrochloric Acid → HCID 178457047, compound

HRID 108815Notes

Reaction equation

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

Participants

Reactant 3

HCID 313Hydrochloric Acid

HCID 312751,4-Dioxane

HCID 693127063-{6-[(benzyl-isopropyl-carbamoyl)-methyl]-8,9-difluoro-5-oxo-1-phenyl-5,6-dihydro-4H-2,3,6,10b-tetraaza-benzo[e]azulen-4-ylmethyl}-indazole-1-carboxylic acid tert-butyl ester

Product 1

HCID 178457047HCID 178457047, compound

Sources & evidence

ORD record: ord-d4279d1f7b5944e38165be17d15b6776
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…