Water → HCID 69152679, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[c:11]([CH2:45][CH:46]([CH3:47])[CH3:48])[n:12][c:13]2[cH:14][cH:15][c:16]([NH:27][C:28](=[O:29])[O:30][CH2:31][CH:32]3[c:33]4[cH:34][cH:35][cH:36][cH:37][c:38]4-[c:39]4[c:40]3[cH:41][cH:42][cH:43][cH:44]4)[cH:17][c:18]2[c:19]1-[c:20]1[cH:21][cH:22][c:23]([CH3:26])[cH:24][cH:25]1.[CH2:49]1[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]1.[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[OH2:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[c:11]([CH2:45][CH:46]([CH3:47])[CH3:48])[n:12][c:13]2[cH:14][cH:15][c:16]([NH2:27])[cH:17][c:18]2[c:19]1-[c:20]1[cH:21][cH:22][c:23]([CH3:26])[cH:24][cH:25]1Participants
5
Sources & evidence
- ORD record
- ord-d3b4062d476b4b2e8307a4fe252a6dec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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