Water → HCID 59593350, compound

HRID 106241Notes

Reaction equation

HRID 106241 reaction equation
[CH2:35]([SiH:36]([CH2:37][CH3:38])[CH2:39][CH3:40])[CH3:41].[CH3:43][C:44]#[N:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][CH2:9][c:10]2[n:11][cH:12][c:13]([CH:16]([c:17]3[cH:18][nH:19][c:20]4[n:21][cH:22][cH:23][cH:24][c:25]34)[O:26][CH3:27])[cH:14][cH:15]2)[cH:6][cH:7]1.[OH2:42].[OH:28][C:29]([C:30]([F:31])([F:32])[F:33])=[O:34]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][CH2:9][c:10]2[n:11][cH:12][c:13]([CH2:16][c:17]3[cH:18][nH:19][c:20]4[n:21][cH:22][cH:23][cH:24][c:25]34)[cH:14][cH:15]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 12052TriethylsilaneHCID 59593315HCID 59593315, compound

Product 1

HCID 59593350HCID 59593350, compound

Sources & evidence

ORD record
ord-5203dff7ba09426c9d31bf40048897df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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