1,2-Dichloroethane → HCID 178445485, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH:8]([CH2:9][CH3:10])[CH3:11])[NH:12][CH2:13][CH2:14][N:15]([CH2:16][c:17]1[n:18][c:19]2[c:20]([n:21]1[CH3:22])[cH:23][cH:24][cH:25][cH:26]2)[C:27]([O:29][CH2:28][CH:30]1[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2-[c:37]2[c:38]1[cH:39][cH:40][cH:41][cH:42]2)=[O:43])=[O:44].[CH2:45]([NH:46][CH2:47][CH3:48])[CH3:49].[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[Cl:77][CH2:78][CH2:79][Cl:80].[N+:50]([c:51]1[cH:52][cH:53][c:54]([O:55][C:56](=[O:57])[O:58][c:59]2[cH:60][cH:61][c:62]([N+:63]([O-:64])=[O:65])[cH:66][cH:67]2)[cH:68][cH:69]1)([O-:70])=[O:71]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH:8]([CH2:9][CH3:10])[CH3:11])[N:12]1[CH2:13][CH2:14][N:15]([CH2:16][c:17]2[n:18][c:19]3[c:20]([n:21]2[CH3:22])[cH:23][cH:24][cH:25][cH:26]3)[C:27]1=[O:29])=[O:44]Participants
6
Sources & evidence
- ORD record
- ord-51d9f707df0044ffa7e27d57cf5908e8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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