Hydrochloric Acid → HCID 44480621, compound

HRID 286251Notes

Reaction equation

HRID 286251 reaction equation
[CH3:55][S:56]([CH3:57])=[O:58].[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[Cl:2][c:3]1[n:4][c:5](-[c:21]2[c:22]([F:28])[cH:23][c:24]([F:27])[cH:25][cH:26]2)[cH:6][c:7]2[n:8]1[n:9][c:10]([CH:12]1[CH2:13][CH2:14][N:15]([CH:18]([CH3:19])[CH3:20])[CH2:16][CH2:17]1)[n:11]2.[ClH:1].[ClH:29].[NH2:30][c:31]1[n:32][c:33]([NH:39][CH:40]2[CH2:41][NH:42][CH2:43][CH2:44][CH2:45]2)[cH:34][cH:35][c:36]1[C:37]#[N:38]>>[c:3]1([N:42]2[CH2:41][CH:40]([NH:39][c:33]3[n:32][c:31]([NH2:30])[c:36]([C:37]#[N:38])[cH:35][cH:34]3)[CH2:45][CH2:44][CH2:43]2)[n:4][c:5](-[c:21]2[c:22]([F:28])[cH:23][c:24]([F:27])[cH:25][cH:26]2)[cH:6][c:7]2[n:8]1[n:9][c:10]([CH:12]1[CH2:13][CH2:14][N:15]([CH:18]([CH3:19])[CH3:20])[CH2:16][CH2:17]1)[n:11]2

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 679Dimethyl SulfoxideHCID 81531DiisopropylethylamineHCID 579117792-Amino-6-(piperidin-3-ylamino)pyridine-3-carbonitrileHCID 583060205-Chloro-7-(2,4-difluorophenyl)-2-[1-(propan-2-yl)piperidin-4-yl][1,2,4]-triazolo[1,5-c]pyrimidine

Product 1

HCID 44480621HCID 44480621, compound

Sources & evidence

ORD record
ord-64008afd2c15484ab8535ff4b85f24cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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