Hydrochloric Acid → Hydrochloric Acid

HRID 90612Notes

Reaction equation

HRID 90612 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11](=[O:27])[n:12](-[c:15]2[cH:16][c:17]3[cH:18][n:19][n:20]([CH2:24][CH2:25][Cl:26])[c:21]3[cH:22][cH:23]2)[cH:13][cH:14]1.[CH2:28]1[CH2:29][NH:30][CH2:31][CH2:32][NH:33]1.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:53][CH2:54][O:55][CH2:56][CH3:57].[ClH:40].[Cs+:38].[Cs+:39].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:46]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11](=[O:27])[n:12](-[c:15]2[cH:16][c:17]3[cH:18][n:19][n:20]([CH2:24][CH2:25][N:30]4[CH2:29][CH2:28][NH:33][CH2:32][CH2:31]4)[c:21]3[cH:22][cH:23]2)[cH:13][cH:14]1.[ClH:26]

Participants

11

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 3283Diethyl EtherHCID 4837PiperazineHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 59293392HCID 59293392, compound

Product 2

HCID 313Hydrochloric AcidHCID 250568724-(benzyloxy)-1-(1-(2-(piperazin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one

Sources & evidence

ORD record
ord-a15d1773993340638d2762b0bdeaeaef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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