Water → HCID 75020933, compound

HRID 155539Notes

Reaction equation

HRID 155539 reaction equation
[C:47](#[N:48])[CH3:49].[CH2:1]([CH3:2])[O:3][CH:4]1[O:5][C:6](=[O:38])[CH2:7][CH:8]1[NH:9][C:10](=[O:11])[CH:12]1[CH2:13][N:14]([S:34](=[O:35])(=[O:36])[CH3:37])[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.[OH2:46].[OH:39][C:40]([C:41]([F:42])([F:43])[F:44])=[O:45]>>[OH:3][CH:4]1[O:5][C:6](=[O:38])[CH2:7][CH:8]1[NH:9][C:10](=[O:11])[CH:12]1[CH2:13][N:14]([S:34](=[O:35])(=[O:36])[CH3:37])[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 178467548HCID 178467548, compound

Product 1

HCID 75020933HCID 75020933, compound

Sources & evidence

ORD record
ord-4c20762294d24ccd8e9b08d6c8ba54bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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