Bicarbonate Ion → 1-(4-(2-(2-Aminopyridin-4-yl)propan-2-yloxy)naphthalen-1-yl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea

HRID 124461Notes

Reaction equation

HRID 124461 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:11]2[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[c:8]([NH2:10])[cH:9]1.[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:70][CH2:71][O:72][C:73]([CH3:74])=[O:75].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[Cl:23][C:24]([O:25][C:26]([Cl:27])=[O:28])([Cl:29])[Cl:30].[Cl:62][CH2:63][Cl:64].[NH2:31][c:32]1[cH:33][cH:34][c:35]([O:42][C:43]([CH3:44])([CH3:45])[c:46]2[cH:47][c:48]([NH2:52])[n:49][cH:50][cH:51]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]12.[Na+:22].[O-:18][C:19](=[O:20])[OH:21].[OH2:76]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:11]2[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[c:8]([NH:10][C:19](=[O:21])[NH:31][c:32]2[cH:33][cH:34][c:35]([O:42][C:43]([CH3:44])([CH3:45])[c:46]3[cH:47][c:48]([NH2:52])[n:49][cH:50][cH:51]3)[c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]23)[cH:9]1

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 10426DiphosgeneHCID 81531DiisopropylethylamineHCID 29741323-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-amineHCID 672351724-(2-(4-Aminonaphthalen-1-yloxy)propan-2-yl)pyridin-2-amine

Product 1

HCID 585325331-(4-(2-(2-Aminopyridin-4-yl)propan-2-yloxy)naphthalen-1-yl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea

Sources & evidence

ORD record
ord-3d00c1f7ea064d94878def4bb089bbf5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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