Dichloromethane → 3-Amino-5-[4-tert-butoxycarbonylamino-2-(3,4-dichloro-phenyl)-butyrylamino]-indazole-1-carboxylic acid tert-butyl ester

HRID 112039Notes

Reaction equation

HRID 112039 reaction equation
[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[NH:26][CH2:27][CH2:28][CH:29]([C:30](=[O:31])[OH:32])[c:33]1[cH:34][c:35]([Cl:40])[c:36]([Cl:39])[cH:37][cH:38]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10]([NH2:18])[c:11]2[cH:12][c:13]([NH2:17])[cH:14][cH:15][c:16]12.[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[Cl:50][CH2:51][Cl:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10]([NH2:18])[c:11]2[cH:12][c:13]([NH:17][C:30]([CH:29]([CH2:28][CH2:27][NH:26][C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[c:33]3[cH:34][c:35]([Cl:40])[c:36]([Cl:39])[cH:37][cH:38]3)=[O:31])[cH:14][cH:15][c:16]12

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 221479534-tert-Butoxycarbonylamino-2-(3,4-dichlorophenyl)-butyric acidHCID 23571038tert-butyl 3,5-diamino-1H-indazole-1-carboxylate

Product 1

HCID 235710413-Amino-5-[4-tert-butoxycarbonylamino-2-(3,4-dichloro-phenyl)-butyrylamino]-indazole-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-ebac7a29e0fb4b89af18db04a1293ca1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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