Water → HCID 178474752, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]([CH2:7][CH:8]([c:9]1[s:10][c:11]([C:14]#[C:15][CH2:16][OH:17])[cH:12][cH:13]1)[NH:18][C:19]([CH3:20])=[O:21])[CH3:22].[CH2:31]([O:32][C:33]([N:34]=[N:35][C:36]([O:37][CH2:38][CH3:39])=[O:40])=[O:41])[CH3:42].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[OH2:67].[OH:23][c:24]1[cH:25][cH:26][c:27]([Cl:28])[cH:29][cH:30]1.[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]([CH2:7][CH:8]([c:9]1[s:10][c:11]([C:14]#[C:15][CH2:16][O:17][c:24]2[cH:25][cH:26][c:27]([Cl:28])[cH:29][cH:30]2)[cH:12][cH:13]1)[NH:18][C:19]([CH3:20])=[O:21])[CH3:22]Participants
7
Sources & evidence
- ORD record
- ord-622434e00b2c4da3a615d80a50621cbe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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