Water → HCID 178430586, compound
Reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cl:1][c:2]1[c:3]([CH3:18])[c:4]([NH:10][CH:11]([C:12](=[O:13])[OH:14])[CH:15]([CH3:16])[OH:17])[cH:5][cH:6][c:7]1[C:8]#[N:9].[OH2:34].[OH:35][n:36]1[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1.[n:19]1(-[c:24]2[cH:25][cH:26][c:27]([C:28](=[O:29])[NH:30][NH2:31])[cH:32][cH:33]2)[n:20][cH:21][cH:22][cH:23]1>>[Cl:1][c:2]1[c:3]([CH3:18])[c:4]([NH:10][CH:11]([C:12](=[O:14])[NH:31][NH:30][C:28]([c:27]2[cH:26][cH:25][c:24](-[n:19]3[n:20][cH:21][cH:22][cH:23]3)[cH:33][cH:32]2)=[O:29])[CH:15]([CH3:16])[OH:17])[cH:5][cH:6][c:7]1[C:8]#[N:9]Participants
7
Sources & evidence
- ORD record
- ord-c231c97b34744eaf8b7cc02e65862b24
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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