Water → HCID 178505307, compound
Reaction equation
[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][S:52]([Cl:53])(=[O:54])=[O:55].[CH3:60][N:61]([c:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1)[CH3:68].[Cl:57][CH2:58][Cl:59].[N:1](=[N+:2]=[N-:3])[CH:4]1[c:5]2[c:6]([cH:39][cH:40][c:41]([F:43])[cH:42]2)[O:7][c:8]2[c:9]([cH:35][cH:36][cH:37][cH:38]2)[CH:10]1[CH2:11][CH:12]([CH2:13][O:14][C:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[OH:34].[OH2:56]>>[N:1](=[N+:2]=[N-:3])[CH:4]1[c:5]2[c:6]([cH:39][cH:40][c:41]([F:43])[cH:42]2)[O:7][c:8]2[c:9]([cH:35][cH:36][cH:37][cH:38]2)[CH:10]1[CH2:11][CH:12]([CH2:13][O:14][C:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:34][S:52]([CH3:51])(=[O:54])=[O:55]Participants
7
Sources & evidence
- ORD record
- ord-40c4244c6e4e46c198f9877f788d62af
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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