1,2-Dichloroethane → HCID 66811749, compound
Reaction equation
[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[N:32]1[CH:33]([C:44](=[O:45])[OH:46])[CH:34]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[CH2:35][CH2:36][CH2:37]1.[CH2:2]([CH2:3][CH2:4][CH3:5])[N:6]1[C:7](=[O:24])[C:8](=[O:23])[N:9]([CH:12]([C:13](=[O:14])[NH:15][NH3+:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:10][CH2:11]1.[CH:57]([N:58]([CH:59]([CH3:60])[CH3:61])[CH2:62][CH3:63])([CH3:64])[CH3:65].[Cl-:1].[Cl:69][CH2:70][CH2:71][Cl:72].[NH:66]=[C:67]=[NH:68].[OH:47][n:48]1[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH2:2]([CH2:3][CH2:4][CH3:5])[N:6]1[C:7](=[O:24])[C:8](=[O:23])[N:9]([CH:12]([C:13](=[O:14])[NH:15][NH:16][C:44]([CH:33]2[N:32]([C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[CH2:37][CH2:36][CH2:35][CH:34]2[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[O:45])[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:10][CH2:11]1Participants
8
Sources & evidence
- ORD record
- ord-edf51e8ae8124690b0369704f86e3603
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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