Dichloromethane → HCID 10117059, compound
Reaction equation
[CH2:41]([Al+:42][CH2:43][CH:44]([CH3:45])[CH3:46])[CH:47]([CH3:48])[CH3:49].[CH:1]1([NH:6][c:7]2[c:8]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:9][cH:10][c:11]3[n:12]2[n:13][c:14](-[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[c:15]3-[c:16]2[n:17][c:18]([NH:22][CH:23]3[CH2:24][CH2:25][CH2:26][CH2:27]3)[n:19][cH:20][cH:21]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:50][CH2:51][Cl:52].[H-:40]>>[CH:1]1([NH:6][c:7]2[c:8]([CH2:35][OH:36])[cH:9][cH:10][c:11]3[n:12]2[n:13][c:14](-[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[c:15]3-[c:16]2[n:17][c:18]([NH:22][CH:23]3[CH2:24][CH2:25][CH2:26][CH2:27]3)[n:19][cH:20][cH:21]2)[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
5
Sources & evidence
- ORD record
- ord-8ed99f6f872f4c8a9fbc764ccdd98628
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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