Water → HCID 86753164, compound
Reaction equation
[CH2:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[O:21][C:22](=[O:23])[CH2:24][c:25]1[c:26]([O:58][CH3:59])[cH:27][c:28]([CH2:56][NH2:57])[c:29]2[c:38]1[S:37][c:36]1[c:31]([cH:32][cH:33][c:34]([O:46][CH3:47])[c:35]1[C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[N:30]2[C:48]([CH2:49][CH2:50][CH2:51][C:52](=[O:53])[OH:54])=[O:55].[CH3:1][I:2].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[N:3]12[CH2:4][CH2:13][CH2:12][CH2:11][CH2:10][C:9]1=[N:8][CH2:7][CH2:6][CH2:5]2.[OH2:60]>>[CH3:4][O:54][C:52]([CH2:51][CH2:50][CH2:49][C:48]([N:30]1[c:29]2[c:28]([CH2:56][NH2:57])[cH:27][c:26]([O:58][CH3:59])[c:25]([CH2:24][C:22]([O:21][CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)=[O:23])[c:38]2[S:37][c:36]2[c:31]1[cH:32][cH:33][c:34]([O:46][CH3:47])[c:35]2[C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:55])=[O:53]Participants
7
Sources & evidence
- ORD record
- ord-3bd45706b6ff4c2196bc7ea58ba60a8f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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