Water → HCID 57563615, compound

HRID 193597Notes

Reaction equation

HRID 193597 reaction equation
[F:41][C:42]([F:43])([F:44])[S:45]([O:46][S:47]([C:48]([F:49])([F:50])[F:51])(=[O:52])=[O:53])(=[O:54])=[O:55].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][c:9]1[cH:10][c:11]([C:20]([NH:21][CH:22]([CH2:23][CH:24]([CH3:25])[CH3:26])[c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)=[O:34])[c:12]([CH2:15][CH2:16][C:17](=[O:18])[NH2:19])[cH:13][cH:14]1.[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[OH2:56].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][c:9]1[cH:10][c:11]([C:20]([NH:21][CH:22]([CH2:23][CH:24]([CH3:25])[CH3:26])[c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)=[O:34])[c:12]([CH2:15][CH2:16][C:17]#[N:19])[cH:13][cH:14]1

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 312751,4-DioxaneHCID 67749Trifluoromethanesulfonic anhydrideHCID 57563477HCID 57563477, compound

Product 1

HCID 57563615HCID 57563615, compound

Sources & evidence

ORD record
ord-d8648f4137d84e6e9e29a55bfd60e562
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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