Water → HCID 69746703, compound
Reaction equation
[CH2:6]([CH2:7][CH2:8][CH3:9])[O:10][CH:11]([CH3:12])[O:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:40]2)[CH:25]=[C:26]([C:37](=[O:38])[OH:39])[CH2:27][CH2:28][N:29]3[CH2:30][c:31]2[n:32]([CH3:36])[cH:33][cH:34][n:35]2)[cH:18][cH:19]1.[CH3:45][N:46]([CH:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1)[CH2:53][c:54]1[cH:55][cH:56][c:57]([NH2:58])[cH:59][cH:60]1.[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[OH2:66].[S:41]([Cl:42])([Cl:43])=[O:44]>>[CH2:6]([CH2:7][CH2:8][CH3:9])[O:10][CH:11]([CH3:12])[O:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:40]2)[CH:25]=[C:26]([C:37](=[O:39])[NH:58][c:57]2[cH:56][cH:55][c:54]([CH2:53][N:46]([CH3:45])[CH:47]4[CH2:48][CH2:49][O:50][CH2:51][CH2:52]4)[cH:60][cH:59]2)[CH2:27][CH2:28][N:29]3[CH2:30][c:31]2[n:32]([CH3:36])[cH:33][cH:34][n:35]2)[cH:18][cH:19]1Participants
8
Sources & evidence
- ORD record
- ord-9e47313f3fe8408a80315555aaf43283
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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