Water → HCID 178481101, compound
Reaction equation
[Cl:4][c:5]1[c:6]([CH2:7][n:8]2[c:9]([N:25]3[CH2:26][CH:27]([NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:28][CH2:29][CH2:30]3)[c:10]([C:23]#[N:24])[c:11]3[n:12][c:13]([S:19]([CH3:20])(=[O:21])=[O:22])[n:14]([CH3:18])[c:15](=[O:17])[c:16]23)[cH:39][c:40]([F:43])[cH:41][cH:42]1.[Na:1][C:2]#[N:3].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH2:44]>>[C:2](#[N:3])[c:13]1[n:12][c:11]2[c:10]([C:23]#[N:24])[c:9]([N:25]3[CH2:26][CH:27]([NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:28][CH2:29][CH2:30]3)[n:8]([CH2:7][c:6]3[c:5]([Cl:4])[cH:42][cH:41][c:40]([F:43])[cH:39]3)[c:16]2[c:15](=[O:17])[n:14]1[CH3:18]Participants
5
Sources & evidence
- ORD record
- ord-e60e534a6a5c4dd5a65b7b0a29dec40f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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