Dichloromethane → HCID 178424232, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([NH:11][C:12]([CH:13]([NH:14][C:15]([CH:16]([NH:17][C:18]([CH:19]([NH:20][C:21]([O:22][CH2:23][CH:24]1[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2-[c:31]2[c:32]1[cH:33][cH:34][cH:35][cH:36]2)=[O:37])[CH2:38][CH2:39][C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])=[O:47])[CH2:48][c:49]1[c:50]([CH3:55])[cH:51][cH:52][cH:53][cH:54]1)=[O:56])[C:57]([CH3:58])([CH3:59])[CH3:60])=[O:61])[CH2:62][CH:63]([CH3:64])[CH3:65])=[O:66].[CH2:67]1[CH2:68][CH2:69][NH:70][CH2:71][CH2:72]1.[Cl:73][CH2:74][Cl:75]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([NH:11][C:12]([CH:13]([NH:14][C:15]([CH:16]([NH:17][C:18]([CH:19]([NH2:20])[CH2:38][CH2:39][C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])=[O:47])[CH2:48][c:49]1[c:50]([CH3:55])[cH:51][cH:52][cH:53][cH:54]1)=[O:56])[C:57]([CH3:58])([CH3:59])[CH3:60])=[O:61])[CH2:62][CH:63]([CH3:64])[CH3:65])=[O:66]Participants
4
Sources & evidence
- ORD record
- ord-84fed5ce0de74ed0a843016bb471e1a2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…