Water → HCID 178431605, compound

HRID 154045

Reaction equation

HRID 154045 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.[CH3:36][C:37]1([CH3:44])[O:38][CH2:39][C:40](=[O:43])[CH2:41][O:42]1.[Cl:45][CH2:46][Cl:47].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[OH2:48]>>[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]([CH:40]4[CH2:39][O:38][C:37]([CH3:36])([CH3:44])[O:42][CH2:41]4)[CH2:24][CH2:25]3)[cH:19]2)=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 27331412,2-Dimethyl-1,3-dioxan-5-oneHCID 178510382HCID 178510382, compound

Product 1

HCID 178431605HCID 178431605, compound

Sources & evidence

ORD record
ord-5b549c46c7d748708391cb5fbacd0eee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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