Water → HCID 178495195, compound
Reaction equation
[CH3:1][O:2][CH2:3][CH:4]([CH2:5][O:6][CH2:7][c:8]1[cH:9][cH:10][c:11]([CH:14]2[CH2:15][CH:16]([CH2:47][C:48]([CH3:49])([CH3:50])[NH2:51])[N:17]([S:37](=[O:38])(=[O:39])[c:40]3[cH:41][cH:42][c:43]([CH3:46])[cH:44][cH:45]3)[CH2:18][CH:19]2[O:20][CH2:21][c:22]2[cH:23][cH:24][c:25]3[c:26]([cH:36]2)[N:27]([CH2:31][CH2:32][CH2:33][O:34][CH3:35])[CH2:28][CH2:29][O:30]3)[cH:12][cH:13]1)[CH3:52].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH3:60][C:61]([Cl:62])=[O:63].[Cl:64][CH2:65][Cl:66].[OH2:67]>>[CH3:1][O:2][CH2:3][CH:4]([CH2:5][O:6][CH2:7][c:8]1[cH:9][cH:10][c:11]([CH:14]2[CH2:15][CH:16]([CH2:47][C:48]([CH3:49])([CH3:50])[NH:51][C:61]([CH3:60])=[O:63])[N:17]([S:37](=[O:38])(=[O:39])[c:40]3[cH:41][cH:42][c:43]([CH3:46])[cH:44][cH:45]3)[CH2:18][CH:19]2[O:20][CH2:21][c:22]2[cH:23][cH:24][c:25]3[c:26]([cH:36]2)[N:27]([CH2:31][CH2:32][CH2:33][O:34][CH3:35])[CH2:28][CH2:29][O:30]3)[cH:12][cH:13]1)[CH3:52]Participants
6
Sources & evidence
- ORD record
- ord-f2e152e1c7c040b7a6732355fd426e4c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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