Water → HCID 59485956, compound

HRID 699658Notes

Reaction equation

HRID 699658 reaction equation
[CH3:34][S:35]([Cl:36])(=[O:37])=[O:38].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([N:13]3[C:14](=[O:31])[N:15]([CH2:28][CH2:29][OH:30])[CH2:16][CH:17]3[c:18]3[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]3)[cH:11][cH:12]2)[cH:32][cH:33]1.[Cl:46][CH2:47][Cl:48].[OH2:49]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([N:13]3[C:14](=[O:31])[N:15]([CH2:28][CH2:29][O:30][S:35]([CH3:34])(=[O:37])=[O:38])[CH2:16][CH:17]3[c:18]3[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]3)[cH:11][cH:12]2)[cH:32][cH:33]1

Participants

6

Sources & evidence

ORD record
ord-3ec7ea7cd089478fa626189fb4748b59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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