1,2-Dichloroethane → HCID 178491429, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]2[n:7][cH:8][n:9]([CH:10]3[CH:11]([OH:12])[CH:13]([OH:14])[CH:15]([CH2:16][O:17][C:18]([c:19]4[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]4)([c:27]4[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]4)[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[O:41]3)[c:42]2[n:43][cH:44][n:45]1.[C:55](#[N:56])[CH2:57][CH2:58][O:59][CH2:60][Cl:61].[C:62](=[O:63])([OH:64])[O-:65].[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[Cl:67][CH2:68][CH2:69][Cl:70].[Na+:66]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]2[n:7][cH:8][n:9]([CH:10]3[CH:11]([O:12][CH2:60][O:59][CH2:58][CH2:57][C:55]#[N:56])[CH:13]([OH:14])[CH:15]([CH2:16][O:17][C:18]([c:19]4[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]4)([c:27]4[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]4)[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[O:41]3)[c:42]2[n:43][cH:44][n:45]1Participants
7
Sources & evidence
- ORD record
- ord-5b3317e63cf74578b9e19a729ca4d941
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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