Bicarbonate Ion → tert-Butyl 4-(2-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ureido)naphthalen-1-yloxy)-2-methylpropyl)pyridin-2-ylcarbamate

HRID 1119466Notes

Reaction equation

HRID 1119466 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.[CH3:73][CH2:74][O:75][C:76]([CH3:77])=[O:78].[CH:61]([N:62]([CH2:63][CH3:64])[CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[Cl:23][C:24]([O:25][C:26]([Cl:27])=[O:28])([Cl:29])[Cl:30].[Cl:70][CH2:71][Cl:72].[NH2:31][c:32]1[cH:33][cH:34][c:35]([O:42][C:43]([CH2:44][c:45]2[cH:46][c:47]([NH:51][C:52]([O:53][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:58])[n:48][cH:49][cH:50]2)([CH3:59])[CH3:60])[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]12.[Na+:22].[O-:18][C:19]([OH:20])=[O:21].[OH2:79]>>[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:18])[NH:31][c:32]2[cH:33][cH:34][c:35]([O:42][C:43]([CH2:44][c:45]3[cH:46][c:47]([NH:51][C:52]([O:53][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:58])[n:48][cH:49][cH:50]3)([CH3:59])[CH3:60])[c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]23)[cH:9]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 10426DiphosgeneHCID 81531DiisopropylethylamineHCID 29741323-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-amineHCID 67359542tert-Butyl 4-(2-(4-aminonaphthalen-1-yloxy)-2-methylpropyl)pyridin-2-ylcarbamate

Product 1

HCID 58416777tert-Butyl 4-(2-(4-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ureido)naphthalen-1-yloxy)-2-methylpropyl)pyridin-2-ylcarbamate

Sources & evidence

ORD record
ord-39c982d2f2444d10894ce13fd5a4dd0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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