Water → HCID 12973105, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([NH2:30])[n:7][c:8]([N:15]([CH3:16])[CH2:17][C:18]3([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]3)[n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:50][C:51]#[N:52].[Cl:36][C:37]1=[N:41][CH2:40][CH2:39][NH:38]1.[OH2:49].[S:31]([OH:32])([OH:33])(=[O:34])=[O:35]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([NH2:30])[n:7][c:8]([N:15]([CH3:16])[CH2:17][C:18]3([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[CH2:19][CH2:20][N:21]([C:37]4=[N:38][CH2:39][CH2:40][NH:41]4)[CH2:22][CH2:23]3)[n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]Participants
7
Sources & evidence
- ORD record
- ord-ab1c55447f5a494f9c2446437bbf743b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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