Water → HCID 178422080, compound

HRID 101728Notes

Reaction equation

HRID 101728 reaction equation
[CH3:27][C:28]1([CH3:41])[NH:29][c:30]2[c:31]([C:38](=[O:39])[OH:40])[cH:32][cH:33][cH:34][c:35]2[CH:36]=[CH:37]1.[CH:1]1([NH:7][C:8]2=[N:9][C:10](=[O:26])[N:11]([c:19]3[cH:20][c:21]([F:25])[cH:22][cH:23][cH:24]3)[C:12]23[CH2:13][CH:14]([CH3:18])[NH:15][CH2:16][CH2:17]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:47]>>[CH:1]1([NH:7][C:8]2=[N:9][C:10](=[O:26])[N:11]([c:19]3[cH:20][c:21]([F:25])[cH:22][cH:23][cH:24]3)[C:12]23[CH2:13][CH:14]([CH3:18])[N:15]([C:38]([c:31]2[c:30]4[c:35]([cH:34][cH:33][cH:32]2)[CH:36]=[CH:37][C:28]([CH3:27])([CH3:41])[NH:29]4)=[O:39])[CH2:16][CH2:17]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

5

Reactant 4

HCID 962WaterHCID 6228DimethylformamideHCID 66790968HCID 66790968, compoundHCID 178422079HCID 178422079, compound

Product 1

HCID 178422080HCID 178422080, compound

Sources & evidence

ORD record
ord-f785738f049c4e3a8bf21ab9012fb780
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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