1,2-Dichloroethane → HCID 66811684, compound
Reaction equation
[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[N:31]1[CH:32]([C:43](=[O:44])[OH:45])[CH:33]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH2:34][CH2:35][CH2:36]1.[CH:56]([N:57]([CH:58]([CH3:59])[CH3:60])[CH2:61][CH3:62])([CH3:63])[CH3:64].[Cl:72][CH2:73][CH2:74][Cl:75].[NH:1]([NH2:2])[C:3](=[O:4])[c:5]1[cH:6][c:7]([N:18]([S:19](=[O:20])(=[O:21])[CH3:22])[CH3:23])[n:8][c:9]([N:11]([CH2:12][CH:13]2[CH:14]([CH3:16])[CH2:15]2)[CH3:17])[cH:10]1.[NH:65]=[C:66]=[NH:67].[O-:68][C:69](=[O:70])[O-:71].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[NH:1]([NH:2][C:43]([CH:32]1[N:31]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[CH2:36][CH2:35][CH2:34][CH:33]1[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)=[O:44])[C:3](=[O:4])[c:5]1[cH:6][c:7]([N:18]([S:19](=[O:20])(=[O:21])[CH3:22])[CH3:23])[n:8][c:9]([N:11]([CH2:12][CH:13]2[CH:14]([CH3:16])[CH2:15]2)[CH3:17])[cH:10]1Participants
8
Sources & evidence
- ORD record
- ord-fb995c9b2ada42568fa566f5c186a814
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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