Water → HCID 75020857, compound

HRID 321396Notes

Reaction equation

HRID 321396 reaction equation
[C:46](#[N:47])[CH3:48].[CH2:1]([CH3:2])[O:3][CH:4]1[O:5][C:6](=[O:37])[CH2:7][CH:8]1[NH:9][C:10](=[O:11])[CH:12]1[CH2:13][N:14]([C:34]([CH3:35])=[O:36])[CH2:15][CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH:21]([NH:25][C:26]([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)=[O:33])[C:22](=[O:24])[N:23]12.[OH2:45].[OH:38][C:39]([C:40]([F:41])([F:42])[F:43])=[O:44]>>[OH:3][CH:4]1[O:5][C:6](=[O:37])[CH2:7][CH:8]1[NH:9][C:10](=[O:11])[CH:12]1[CH2:13][N:14]([C:34]([CH3:35])=[O:36])[CH2:15][CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH:21]([NH:25][C:26]([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)=[O:33])[C:22](=[O:24])[N:23]12

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 178467547HCID 178467547, compound

Product 1

HCID 75020857HCID 75020857, compound

Sources & evidence

ORD record
ord-166d87bebeb740d6bdd75e3a8eab45de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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