Water → HCID 86606381, compound
Reaction equation
[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[O:37]=[C:38]1[N:39]([Br:44])[C:40](=[O:41])[CH2:42][CH2:43]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:45].[c:46]1([CH3:47])[cH:48][cH:49][cH:50][cH:51][cH:52]1.[cH:1]1[c:2](-[c:11]2[cH:12][cH:13][c:14]3[cH:15][cH:16][c:17]4[c:18](-[c:27]5[cH:28][c:29]6[cH:30][cH:31][cH:32][cH:33][c:34]6[cH:35][cH:36]5)[cH:19][cH:20][c:21]5[cH:22][cH:23][c:24]2[c:25]3[c:26]45)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[cH:1]1[c:2](-[c:11]2[cH:12][cH:13][c:14]3[cH:15][cH:16][c:17]4[c:18](-[c:27]5[cH:28][c:29]6[cH:30][cH:31][cH:32][cH:33][c:34]6[cH:35][cH:36]5)[cH:19][c:20]([Br:44])[c:21]5[cH:22][cH:23][c:24]2[c:25]3[c:26]45)[cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12Participants
7
Sources & evidence
- ORD record
- ord-e58c9f6181904ffe998a92cefbae45ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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