Dichloromethane → HCID 178440246, compound
Reaction equation
[CH3:77][N:78]([c:79]1[cH:80][cH:81][n:82][cH:83][cH:84]1)[CH3:85].[Cl:86][CH2:87][Cl:88].[OH:1][CH:2]([CH2:3][C:4](=[O:5])[OH:6])[CH:7]([CH:8]([CH3:9])[CH3:10])[NH:11][C:12]([CH:13]([CH2:14][S:15][C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[NH:35][C:36]([CH:37]([CH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[CH2:45][C:46]([NH:47][CH:48]([CH:49]=[CH:50][CH2:51][CH2:52][S:53][C:54]([c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)([c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[OH:73])=[O:74])=[O:75])=[O:76]>>[OH:1][CH:2]1[CH2:3][C:4](=[O:6])[O:5][O:73][CH:48]([CH:49]=[CH:50][CH2:51][CH2:52][S:53][C:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[NH:47][C:46](=[O:74])[CH2:45][CH:37]([CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[C:36](=[O:75])[NH:35][CH:13]([CH2:14][S:15][C:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[C:12](=[O:76])[NH:11][CH:7]1[CH:8]([CH3:9])[CH3:10]Participants
4
Sources & evidence
- ORD record
- ord-b32fa705c3ce4296a1b9215d597e296e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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