Hydrochloric Acid → HCID 178483919, compound

HRID 201817Notes

Reaction equation

HRID 201817 reaction equation
[C:8]1([c:14]2[c:15]([NH:26][C:27](=[O:28])[c:29]3[nH:30][cH:31][c:32]([C:34]#[N:35])[n:33]3)[cH:16][cH:17][c:18]([CH:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[cH:19]2)=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13]1.[CH3:46][N:47]([CH3:48])[CH2:49][C:50](=[O:51])[Cl:52].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:53][CH2:54][Cl:55].[ClH:45].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[C:8]1([c:14]2[c:15]([NH:26][C:27](=[O:28])[c:29]3[nH:30][cH:31][c:32]([C:34]#[N:35])[n:33]3)[cH:16][cH:17][c:18]([CH:20]3[CH2:21][CH2:22][N:23]([C:50]([CH2:49][N:47]([CH3:46])[CH3:48])=[O:51])[CH2:24][CH2:25]3)[cH:19]2)=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 70103442-(Dimethylamino)acetyl chlorideHCID 178510382HCID 178510382, compound

Product 1

HCID 178483919HCID 178483919, compound

Sources & evidence

ORD record
ord-09ae31d15f76472bb6ec1d41cc2c0d5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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