Methanol → 1-[4-[1-(2-Amino-4-pyridinyl)-2-methylpropan-2-yl]oxynaphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea

HRID 685047Notes

Reaction equation

HRID 685047 reaction equation
[C:8]([CH3:9])([CH3:10])([CH3:11])[c:12]1[n:13][n:14](-[c:50]2[cH:51][cH:52][c:53]([CH3:56])[cH:54][cH:55]2)[c:15]([NH:17][C:18]([NH:19][c:20]2[cH:21][cH:22][c:23]([O:30][C:31]([CH2:32][c:33]3[cH:34][c:35]([NH:39][C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[n:36][cH:37][cH:38]3)([CH3:47])[CH3:48])[c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)=[O:49])[cH:16]1.[CH3:60][OH:61].[Cl:57][CH2:58][Cl:59].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[C:8]([CH3:9])([CH3:10])([CH3:11])[c:12]1[n:13][n:14](-[c:50]2[cH:51][cH:52][c:53]([CH3:56])[cH:54][cH:55]2)[c:15]([NH:17][C:18]([NH:19][c:20]2[cH:21][cH:22][c:23]([O:30][C:31]([CH2:32][c:33]3[cH:34][c:35]([NH2:39])[n:36][cH:37][cH:38]3)([CH3:47])[CH3:48])[c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)=[O:49])[cH:16]1

Participants

5

Reactant 4

HCID 887MethanolHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 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

Product 1

HCID 584167751-[4-[1-(2-Amino-4-pyridinyl)-2-methylpropan-2-yl]oxynaphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea

Sources & evidence

ORD record
ord-58d9bf1e6acf4aeaa8dbef2108cf0ab2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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