4-(Bromomethyl)-5-methyl-1,3-dioxol-2-one → HCID 178434960, compound
Reaction equation
[Br:54][CH2:55][c:56]1[o:57][c:58](=[O:62])[o:59][c:60]1[CH3:61].[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:50][cH:51][cH:52][cH:53]2)[CH2:6][CH2:7][N:8]1[CH:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][CH:24]([CH:27]3[CH2:28][CH2:29][N:30]([CH2:33][C:34](=[O:35])[OH:36])[CH2:31][CH2:32]3)[CH2:25][CH2:26]2)[CH2:37][c:38]2[cH:39][c:40]([Cl:49])[c:41]([NH2:48])[c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]2)[CH2:13][CH2:14]1>>[O:1]=[C:2]1[NH:3][c:4]2[c:5]([cH:50][cH:51][cH:52][cH:53]2)[CH2:6][CH2:7][N:8]1[CH:9]1[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([C:19](=[O:20])[N:21]2[CH2:22][CH2:23][CH:24]([CH:27]3[CH2:28][CH2:29][N:30]([CH2:33][C:34](=[O:35])[O:36][CH2:55][c:56]4[o:57][c:58](=[O:62])[o:59][c:60]4[CH3:61])[CH2:31][CH2:32]3)[CH2:25][CH2:26]2)[CH2:37][c:38]2[cH:39][c:40]([Cl:49])[c:41]([NH2:48])[c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]2)[CH2:13][CH2:14]1Participants
3
Sources & evidence
- ORD record
- ord-fc98da4953f74feb892e0a6cba33464a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…