Water → HCID 25206184, compound
Reaction equation
[CH3:16][N:17]([CH3:18])[CH:19]=[O:20].[CH3:50][N:51]([CH3:52])[C:53](=[O:54])[CH3:55].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][c:10]1[C:11]1([C:14]#[N:15])[CH2:12][CH2:13]1.[Cl:44][C:45]([C:46]([Cl:47])=[O:48])=[O:49].[NH2:21][c:22]1[cH:23][c:24]([O:25][c:26]2[cH:27][cH:28][c:29]3[c:30]([n:31]2)[s:32][c:33]([NH:35][C:36]([CH3:37])=[O:38])[n:34]3)[cH:39][cH:40][c:41]1[F:42].[OH2:43]>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:21][c:22]2[cH:23][c:24]([O:25][c:26]3[cH:27][cH:28][c:29]4[c:30]([n:31]3)[s:32][c:33]([NH:35][C:36]([CH3:37])=[O:38])[n:34]4)[cH:39][cH:40][c:41]2[F:42])[cH:7][cH:8][cH:9][c:10]1[C:11]1([C:14]#[N:15])[CH2:12][CH2:13]1Participants
7
Sources & evidence
- ORD record
- ord-6f7b3eb39ac44c3e85ac0f4f0cca41e5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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