Hydrochloric Acid → HCID 72244055, compound

HRID 2331307Notes

Reaction equation

HRID 2331307 reaction equation
[C:41]([n:42]1[cH:43][cH:44][n:45][cH:46]1)([n:47]1[cH:48][cH:49][n:50][cH:51]1)=[O:52].[CH3:53][S:54](=[O:55])(=[O:56])[NH2:57].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[Cl:1][c:2]1[c:3]([F:40])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[NH:30][c:31]3[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]3)[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[ClH:60].[H-:59].[Na+:58].[OH2:66]>>[Cl:1][c:2]1[c:3]([F:40])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[NH:30][c:31]3[cH:32][cH:33][c:34]([C:35](=[O:36])[NH:57][S:54]([CH3:53])(=[O:55])=[O:56])[cH:38][cH:39]3)[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 72879MethanesulfonamideHCID 166653HydrideHCID 75096569HCID 75096569, compound

Product 1

HCID 72244055HCID 72244055, compound

Sources & evidence

ORD record
ord-c8f6fe4521dc4dc1b2f2811e59de71b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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