Water → HCID 25196226, compound
Reaction equation
[CH3:34][C:35]([Cl:36])=[O:37].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[NH2:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:11][c:12]1[cH:13][c:14]([NH:19][C:20]([c:21]3[c:22]([Cl:32])[c:23]([C:27]([CH3:28])([CH3:29])[C:30]#[N:31])[cH:24][cH:25][cH:26]3)=[O:33])[cH:15][cH:16][c:17]1[F:18])[cH:10]2.[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH2:44].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[NH:1]([c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:11][c:12]1[cH:13][c:14]([NH:19][C:20]([c:21]3[c:22]([Cl:32])[c:23]([C:27]([CH3:28])([CH3:29])[C:30]#[N:31])[cH:24][cH:25][cH:26]3)=[O:33])[cH:15][cH:16][c:17]1[F:18])[cH:10]2)[C:35]([CH3:34])=[O:37]Participants
7
Sources & evidence
- ORD record
- ord-38829a0566fc4cc4a4e42213a2e96576
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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