Water → HCID 76834801, compound
Reaction equation
[C:49]([c:50]1[cH:51][cH:52][cH:53][c:54]([C:55]([CH3:56])([CH3:57])[CH3:58])[n:59]1)([CH3:60])([CH3:61])[CH3:62].[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH2:37][CH2:38][O:39][CH2:40][c:41]2[cH:42][cH:43][c:44]([O:45][CH3:46])[cH:47][cH:48]2)[C:5](=[O:36])[N:6]([CH:24]([CH2:25][N:26]([S:27](=[O:28])(=[O:29])[CH:30]2[CH2:31][CH2:32]2)[CH3:33])[CH2:34][CH3:35])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1.[Cl:63][C:64]1=[C:75]([Cl:76])[C:73](=[O:74])[C:70]([C:71]#[N:72])=[C:67]([C:68]#[N:69])[C:65]1=[O:66].[Cl:77][CH2:78][Cl:79].[OH2:80]>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH2:37][CH2:38][OH:39])[C:5](=[O:36])[N:6]([CH:24]([CH2:25][N:26]([S:27](=[O:28])(=[O:29])[CH:30]2[CH2:31][CH2:32]2)[CH3:33])[CH2:34][CH3:35])[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1Participants
6
Sources & evidence
- ORD record
- ord-4fc573c7d85b4d8bab3561482138a18b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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