Water → HCID 69523049, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:32]2)[CH:20]=[C:21]([C:29](=[O:30])[OH:31])[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1.[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH:42]([CH3:43])([CH3:44])[n:45]1[c:46]([CH2:50][S:51][c:52]2[cH:53][cH:54][c:55]([NH2:56])[cH:57][cH:58]2)[n:47][cH:48][cH:49]1.[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH2:64].[S:38]([Cl:39])([Cl:40])=[O:41]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:32]2)[CH:20]=[C:21]([C:29](=[O:31])[NH:56][c:55]2[cH:54][cH:53][c:52]([S:51][CH2:50][c:46]4[n:45]([CH:42]([CH3:43])[CH3:44])[cH:49][cH:48][n:47]4)[cH:58][cH:57]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1Participants
8
Sources & evidence
- ORD record
- ord-a3fcc04e7f2d462c98cdc91a1e0797c7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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