Trifluoroacetic acid → HCID 58548801, compound

Reaction equation

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

Participants

Reactant 3

HCID 6422Trifluoroacetic acid

HCID 10932904AGN-PC-0ND25R

HCID 58548811N-(azetidin-3-yl)-2-[[1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)indazol-3-yl]amino]acetamide

Product 1

HCID 58548801HCID 58548801, compound

Sources & evidence

ORD record: ord-00c1a93c5362448da844a5422456cdca
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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