Hydrochloric Acid → HCID 59452676, compound

HRID 1575160Notes

Reaction equation

HRID 1575160 reaction equation
[CH3:34][n:35]1[n:36][cH:37][c:38](-[c:40]2[cH:41][c:42]([NH2:43])[cH:44][cH:45][cH:46]2)[cH:39]1.[CH3:59][CH2:60][O:61][CH2:62][CH3:63].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([C:20](=[O:21])[NH:22][c:23]4[c:24]([F:30])[cH:25][cH:26][cH:27][c:28]4[F:29])[cH:31][cH:32][cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[ClH:47].[F:53][CH2:54][C:55]([F:56])([F:57])[OH:58].[Na+:52].[O-:48][C:49]([OH:50])=[O:51]>>[c:2]1([NH:43][c:42]2[cH:41][c:40](-[c:38]3[cH:37][n:36][n:35]([CH3:34])[cH:39]3)[cH:46][cH:45][cH:44]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([C:20](=[O:21])[NH:22][c:23]4[c:24]([F:30])[cH:25][cH:26][cH:27][c:28]4[F:29])[cH:31][cH:32][cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 3283Diethyl EtherHCID 8857Ethyl AcetateHCID 185647Ethanol, trifluoro-HCID 288753303-(1-Methyl-1H-pyrazol-4-yl)anilineHCID 594529693-[3-(2-chloro-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-benzamide

Product 1

HCID 59452676HCID 59452676, compound

Sources & evidence

ORD record
ord-80aedba300134ab5b0166ffee66ef957
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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