Water → HCID 86655407, compound
Reaction equation
[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH:34]1([C:37](=[O:38])[Cl:39])[CH2:35][CH2:36]1.[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:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:46].[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]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:37]([CH:34]1[CH2:35][CH2:36]1)=[O:38]Participants
7
Sources & evidence
- ORD record
- ord-41aa6d6443104ca8908e8b8d3fdc93d9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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