Trifluoroacetic acid → HCID 178492384, compound

HRID 1139027Notes

Reaction equation

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

Participants

Reactant 2

HCID 6422Trifluoroacetic acid

HCID 867535912-[7-Fluoro-3-(1-tert-butoxycarbonyl-indazol-3-ylmethyl)-2,4-dioxo-5-pyridin-3-yl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-(4-methoxy-phenyl)-acetamide

Product 1

HCID 178492384HCID 178492384, compound

Sources & evidence

ORD record: ord-bf3f98e9ba6e4a0aa7366236b001fb0d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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