Hydrochloric Acid → [2-Chloro-4-(2,4-difluoro-phenylamino)-phenyl]-{5-[1-(2,3-dihydroxy-propyl)-1H-[1,2,3]triazol-4-yl]-2-methyl-phenyl}-methanone

HRID 1148419Notes

Reaction equation

HRID 1148419 reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[Cl:1][c:2]1[c:3]([C:17](=[O:18])[c:19]2[c:20]([CH3:38])[cH:21][cH:22][c:23](-[c:25]3[n:26][n:27][n:28]([CH2:30][CH:31]4[O:32][C:33]([CH3:36])([CH3:37])[O:34][CH2:35]4)[cH:29]3)[cH:24]2)[cH:4][cH:5][c:6]([NH:8][c:9]2[c:10]([F:16])[cH:11][c:12]([F:15])[cH:13][cH:14]2)[cH:7]1.[ClH:39].[Na+:44].[O-:40][C:41]([OH:42])=[O:43]>>[Cl:1][c:2]1[c:3]([C:17](=[O:18])[c:19]2[c:20]([CH3:38])[cH:21][cH:22][c:23](-[c:25]3[n:26][n:27][n:28]([CH2:30][CH:31]([OH:32])[CH2:35][OH:34])[cH:29]3)[cH:24]2)[cH:4][cH:5][c:6]([NH:8][c:9]2[c:10]([F:16])[cH:11][c:12]([F:15])[cH:13][cH:14]2)[cH:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 11497523HCID 11497523, compound

Product 1

HCID 11555090[2-Chloro-4-(2,4-difluoro-phenylamino)-phenyl]-{5-[1-(2,3-dihydroxy-propyl)-1H-[1,2,3]triazol-4-yl]-2-methyl-phenyl}-methanone

Sources & evidence

ORD record
ord-cdd18b606add43aa8ea308c6c83e4c9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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