Water → HCID 178447515, compound
Reaction equation
[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[CH3:66][S:67]([Cl:68])(=[O:69])=[O:70].[Cl:72][CH2:73][Cl:74].[OH2:71].[OH:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][CH2:13][c:14]2[c:15]3[c:16]([n:17][cH:18][cH:19]2)[nH:20][n:21][c:22]3[O:23][CH:24]2[CH:25]([O:26][C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH:33]([O:34][C:35]([C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH:41]([O:42][C:43]([C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48])[CH:49]([CH2:51][O:52][C:53]([C:54]([CH3:55])([CH3:56])[CH3:57])=[O:58])[O:50]2)[cH:10][cH:11]1>>[O:1]([CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][CH2:13][c:14]2[c:15]3[c:16]([n:17][cH:18][cH:19]2)[nH:20][n:21][c:22]3[O:23][CH:24]2[CH:25]([O:26][C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH:33]([O:34][C:35]([C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH:41]([O:42][C:43]([C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48])[CH:49]([CH2:51][O:52][C:53]([C:54]([CH3:55])([CH3:56])[CH3:57])=[O:58])[O:50]2)[cH:10][cH:11]1)[S:67]([CH3:66])(=[O:69])=[O:70]Participants
6
Sources & evidence
- ORD record
- ord-77d2953ded01400688f856f29ec5b82d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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