Water → HCID 86650027, compound

HRID 296671Notes

Reaction equation

HRID 296671 reaction equation
[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:28][S:29]([Cl:30])(=[O:31])=[O:32].[CH3:37][N:38]([CH3:39])[c:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1.[Cl:34][CH2:35][Cl:36].[F:1][c:2]1[c:3]([CH2:10][CH2:11][c:12]2[n:13][c:14]([NH:17][C:18]([CH3:19])=[O:20])[s:15][cH:16]2)[cH:4][cH:5][c:6]([CH2:8][OH:9])[cH:7]1.[OH2:33]>>[F:1][c:2]1[c:3]([CH2:10][CH2:11][c:12]2[n:13][c:14]([NH:17][C:18]([CH3:19])=[O:20])[s:15][cH:16]2)[cH:4][cH:5][c:6]([CH2:8][Cl:30])[cH:7]1

Participants

7

Sources & evidence

ORD record
ord-df36b491ddd3417d9f034de7388abe59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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