Water → HCID 178459448, compound
Reaction equation
[CH2:71]1[O:72][CH2:73][CH2:74][CH2:75]1.[CH3:1][Si:2]([CH3:3])([CH3:4])[N-:5][Si:6]([CH3:7])([CH3:8])[CH3:9].[CH3:68][C:69]#[N:70].[Li+:10].[O:30]([P:31]([O:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[O:61][C:39]1=[C:40]([C:55](=[O:56])[O:57][CH2:58][CH:59]=[CH2:60])[N:41]2[C:42](=[O:54])[CH:43]([CH:47]([CH3:48])[O:49][Si:50]([CH3:51])([CH3:52])[CH3:53])[CH:44]2[CH:45]1[CH3:46])[c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[OH2:76].[SH:11][c:12]1[s:13][cH:14][c:15]([C:17]2=[CH:22][CH2:21][N:20]([C:23](=[O:24])[O:25][CH2:26][CH:27]=[CH2:28])[CH:19]([CH3:29])[CH2:18]2)[n:16]1>>[S:11]([c:12]1[s:13][cH:14][c:15]([C:17]2=[CH:22][CH2:21][N:20]([C:23](=[O:24])[O:25][CH2:26][CH:27]=[CH2:28])[CH:19]([CH3:29])[CH2:18]2)[n:16]1)[C:39]1=[C:40]([C:55](=[O:56])[O:57][CH2:58][CH:59]=[CH2:60])[N:41]2[C:42](=[O:54])[CH:43]([CH:47]([CH3:48])[O:49][Si:50]([CH3:51])([CH3:52])[CH3:53])[CH:44]2[CH:45]1[CH3:46]Participants
8
Sources & evidence
- ORD record
- ord-ae4abf6718634790a01fae71f9cfaf25
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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