Water → HCID 22256609, compound
Reaction equation
[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH3:28].[CH3:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH:13]([N-:14][CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1[C:8]#[N:9])[cH:10][cH:11][s:12]2.[Cl:52][CH2:53][Cl:54].[Li+:20].[O:29]1[CH2:30][CH2:33][CH2:32][CH2:31]1.[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:51]>>[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1[C:8]#[N:9])[cH:10][c:11]([CH:30]=[O:29])[s:12]2Participants
10
Sources & evidence
- ORD record
- ord-d00f939963f54f2d8d1f1a8fe946cb4e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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