Water → HCID 69624501, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][cH:17][c:18]([NH:21][CH2:22][CH:23]=[CH:24][c:25]3[cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31][cH:32]3)[cH:19][cH:20]2)[CH2:12][CH2:13]1.[CH3:39][C:40](=[O:41])[O:42][C:43](=[O:44])[CH3:45].[Cl:47][CH2:48][Cl:49].[OH2:46].[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][cH:17][c:18]([N:21]([CH2:22][CH:23]=[CH:24][c:25]3[cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31][cH:32]3)[C:40]([CH3:39])=[O:41])[cH:19][cH:20]2)[CH2:12][CH2:13]1Participants
6
Sources & evidence
- ORD record
- ord-1af6437d062f44f38d32c1364b468955
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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