Dichloromethane → HCID 68515987, compound

HRID 97220Notes

Reaction equation

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([N:42]3[CH2:43][CH2:44][N:45]([C:49]([O:50][C:51]([CH3:52])([CH3:53])[CH3:54])=[O:55])[CH2:46][CH2:47][CH2:48]3)[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:41])[cH:20][c:21]([NH:24][C:25](=[O:26])[c:27]3[cH:28][cH:29][n:30][n:31](-[c:34]4[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]4)[c:32]3=[O:33])[cH:22][cH:23]2)[cH:56][cH:57]1.[Cl:65][CH2:66][Cl:67].[F:58][C:59]([F:60])([F:61])[C:62]([OH:63])=[O:64]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([N:42]3[CH2:43][CH2:44][NH:45][CH2:46][CH2:47][CH2:48]3)[c:11]3[c:12]2[n:13][cH:14][cH:15][c:16]3[O:17][c:18]2[c:19]([F:41])[cH:20][c:21]([NH:24][C:25](=[O:26])[c:27]3[cH:28][cH:29][n:30][n:31](-[c:34]4[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]4)[c:32]3=[O:33])[cH:22][cH:23]2)[cH:56][cH:57]1

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 68511540tert-butyl 4-(1-(4-methoxybenzyl)-4-(2-fluoro-4-(1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazine-5-carboxamido)phenoxy)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1,4-diazepane-1-carboxylate

Product 1

HCID 68515987HCID 68515987, compound

Sources & evidence

ORD record: ord-ae328feea1ae42b5b09accc048ecd7bc
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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