1,2-Dichloroethane → HCID 18700143, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][c:17]([O:25][CH2:26][C:27]([F:28])([F:29])[F:30])[c:18]([CH2:21][C:22](=[O:23])[OH:24])[cH:19][cH:20]2)[CH2:12][CH2:13]1.[CH2:72]([Cl:73])[CH2:74][Cl:75].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[NH:31]1[CH2:32][CH2:33][CH:34]([N:37]2[C:38](=[O:47])[CH2:39][CH2:40][c:41]3[cH:42][cH:43][cH:44][cH:45][c:46]32)[CH2:35][CH2:36]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:48][n:49]1[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56][n:57]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][c:17]([O:25][CH2:26][C:27]([F:28])([F:29])[F:30])[c:18]([CH2:21][C:22](=[O:23])[N:31]3[CH2:32][CH2:33][CH:34]([N:37]4[C:38](=[O:47])[CH2:39][CH2:40][c:41]5[cH:42][cH:43][cH:44][cH:45][c:46]54)[CH2:35][CH2:36]3)[cH:19][cH:20]2)[CH2:12][CH2:13]1Participants
7
Sources & evidence
- ORD record
- ord-27f107aa261147848907ef5e684f1def
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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