Hydrochloric Acid → 2-[4-(1H-indazol-3-ylmethyl)-5-oxo-1-phenyl-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl]-N-isopropyl-N-phenyl-acetamide

HRID 304372Notes

Reaction equation

HRID 304372 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:51])[N:20]([CH2:38][C:39]([N:40]([c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH:47]([CH3:48])[CH3:49])=[O:50])[c:21]3[c:22]([cH:34][cH:35][cH:36][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].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[ClH:52].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1>>[nH:8]1[n:9][c:10]([CH2:17][CH:18]2[C:19](=[O:51])[N:20]([CH2:38][C:39]([N:40]([c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH:47]([CH3:48])[CH3:49])=[O:50])[c:21]3[c:22]([cH:34][cH:35][cH:36][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

5

Reactant 4

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 69314041HCID 69314041, compound

Product 1

HCID 1784578832-[4-(1H-indazol-3-ylmethyl)-5-oxo-1-phenyl-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl]-N-isopropyl-N-phenyl-acetamide

Sources & evidence

ORD record
ord-64b73cf03a774bfeb8cc0b056e788bbf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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