Water → HCID 23598707, compound

HRID 2135910Notes

Reaction equation

HRID 2135910 reaction equation
[CH3:53][C:54]#[N:55].[OH2:56].[OH:46][C:47]([C:48]([F:49])([F:50])[F:51])=[O:52].[c:1]1([S:7](=[O:8])(=[O:9])[NH:10][CH2:11][C:12]2=[CH:13][CH2:14][CH:15]([NH:33][C:34](=[O:35])[c:36]3[n:37][cH:38][cH:39][c:40]4[cH:41][cH:42][cH:43][cH:44][c:45]34)[C:16](=[O:32])[N:17]([CH2:19][C:20]([NH:21][CH:22]3[CH:23]([O:28][CH2:29][CH3:30])[O:24][C:25](=[O:27])[CH2:26]3)=[O:31])[CH2:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[NH:10][CH2:11][C:12]2=[CH:13][CH2:14][CH:15]([NH:33][C:34](=[O:35])[c:36]3[n:37][cH:38][cH:39][c:40]4[cH:41][cH:42][cH:43][cH:44][c:45]34)[C:16](=[O:32])[N:17]([CH2:19][C:20]([NH:21][CH:22]3[CH:23]([OH:28])[O:24][C:25](=[O:27])[CH2:26]3)=[O:31])[CH2:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 23598706HCID 23598706, compound

Product 1

HCID 23598707HCID 23598707, compound

Sources & evidence

ORD record
ord-71602f826ffe45598d32b35367627229
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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