Hydrochloric Acid → HCID 58046369, compound

HRID 2343957Notes

Reaction equation

HRID 2343957 reaction equation
[CH2:53]([OH:54])[CH2:55][CH2:56][CH2:57][CH3:58].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cl:1][c:2]1[cH:3][c:4]([CH3:36])[c:5]2[n:6]([n:7]1)[c:8](-[c:18]1[c:19]3[c:20]([n:21][cH:22][cH:23]1)[n:24]([S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[cH:25][cH:26]3)[c:9](-[c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[n:10]2.[ClH:59].[OH:37][CH2:38][CH2:39][N:40]1[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]1>>[c:2]1([N:43]2[CH2:42][CH2:41][N:40]([CH2:39][CH2:38][OH:37])[CH2:45][CH2:44]2)[cH:3][c:4]([CH3:36])[c:5]2[n:6]([n:7]1)[c:8](-[c:18]1[c:19]3[c:20]([n:21][cH:22][cH:23]1)[n:24]([S:27](=[O:28])(=[O:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[cH:25][cH:26]3)[c:9](-[c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1)[n:10]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 62761-PentanolHCID 76771-(2-Hydroxyethyl)piperazineHCID 8471TriethylamineHCID 468994996-chloro-2-(4-fluorophenyl)-8-methyl-3-[1-(phenylsulphonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazo[1,2-b]pyridazine

Product 1

HCID 58046369HCID 58046369, compound

Sources & evidence

ORD record
ord-b3fdf924fc00460eb81f66cae76ea963
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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