Hydrochloric Acid → Hydrochloric Acid

HRID 1122147Notes

Reaction equation

HRID 1122147 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[n:16][cH:17][c:18]([NH:25][C:26](=[O:27])[NH:28][c:29]3[n:30](-[c:40]4[cH:41][cH:42][c:43]([CH3:46])[cH:44][cH:45]4)[n:31][c:32]([C:34]([CH2:35][F:36])([CH3:37])[CH2:38][F:39])[cH:33]3)[c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]23)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:54][CH2:55][Cl:56].[ClH:47].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1>>[ClH:47].[NH:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[n:16][cH:17][c:18]([NH:25][C:26](=[O:27])[NH:28][c:29]3[n:30](-[c:40]4[cH:41][cH:42][c:43]([CH3:46])[cH:44][cH:45]4)[n:31][c:32]([C:34]([CH2:35][F:36])([CH3:37])[CH2:38][F:39])[cH:33]3)[c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]23)[CH2:12][CH2:13]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 690593934-(4-{3-[5-(2-fluoro-1-fluoromethyl-1-methyl-ethyl)-2-p-tolyl-2H-pyrazol-3-yl]-ureido}-isoquinolin-1-yloxy)-piperidine-1-carboxylic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 690537541-[3-(1,3-Difluoro-2-methylpropan-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-(1-piperidin-4-yloxyisoquinolin-4-yl)urea

Sources & evidence

ORD record
ord-d8cbe438d2e640bb93572a589540e8d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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