Water → HCID 77712990, compound

HRID 673345Notes

Reaction equation

HRID 673345 reaction equation
[C:50]([n:51]1[cH:52][cH:53][n:54][cH:55]1)([n:56]1[cH:57][cH:58][n:59][cH:60]1)=[O:61].[CH2:62]([Cl:63])[Cl:64].[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][N:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:9][CH2:10]1)[CH2:18][C:19]1([CH3:30])[CH2:20][n:21]2[c:22]([n:24][c:25]([N+:27](=[O:28])[O-:29])[cH:26]2)[O:23]1.[F:38][C:39]([c:40]1[cH:41][cH:42][c:43]([CH2:44][OH:45])[cH:46][cH:47]1)([F:48])[F:49].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:70].[OH:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37]>>[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][N:8]([C:11](=[O:12])[O:13][CH2:44][c:43]2[cH:42][cH:41][c:40]([C:39]([F:38])([F:48])[F:49])[cH:47][cH:46]2)[CH2:9][CH2:10]1)[CH2:18][C:19]1([CH3:30])[CH2:20][n:21]2[c:22]([n:24][c:25]([N+:27](=[O:28])[O-:29])[cH:26]2)[O:23]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 676844-(Trifluoromethyl)benzenemethanolHCID 682631,1'-CarbonyldiimidazoleHCID 77712947HCID 77712947, compound

Product 1

HCID 77712990HCID 77712990, compound

Sources & evidence

ORD record
ord-e92b69ff623745f9ad7bb44833ee670c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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