Water → HCID 178481560, compound
Reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:43]1)[C:7]([c:36]1[c:37]([Cl:42])[cH:38][cH:39][cH:40][cH:41]1)=[N:8][CH:9]([NH:14][C:15](=[N:16][C:17]#[N:18])[NH:19][c:20]1[cH:21][cH:22][c:23]([N:30]3[CH2:31][CH2:32][O:33][CH2:34][CH2:35]3)[c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]13)[C:10](=[O:13])[N:11]2[CH3:12].[OH2:44].[OH:45][C:46]([C:47]([F:48])([F:49])[F:50])=[O:51]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:43]1)[C:7]([c:36]1[c:37]([Cl:42])[cH:38][cH:39][cH:40][cH:41]1)=[N:8][CH:9]([NH:14][C:15](=[N:16][C:17]([NH2:18])=[O:45])[NH:19][c:20]1[cH:21][cH:22][c:23]([N:30]3[CH2:31][CH2:32][O:33][CH2:34][CH2:35]3)[c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]13)[C:10](=[O:13])[N:11]2[CH3:12]Participants
5
Sources & evidence
- ORD record
- ord-543ed5d4ac6044e289f5a3b6ce66d5c0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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