Chloride → HCID 178502251, compound
Reaction equation
[CH2:71]([Cl:72])[Cl:73].[CH3:80][N:81]([c:82]1[cH:83][cH:84][n:85][cH:86][cH:87]1)[CH3:88].[Cl-:18].[Cl:10][C:11]([N:12]([CH3:13])[CH3:14])=[C:15]([CH3:16])[CH3:17].[O:74]1[CH2:75][CH2:76][O:77][CH2:78][CH2:79]1.[OH:19][CH:20]([CH2:21][N:22]([NH:23][C:24]([CH:25]([NH:26][C:27](=[O:28])[O:29][CH3:30])[CH:31]([CH3:32])[CH3:33])=[O:34])[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH:42]([CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[NH:50][C:51]([CH:52]([NH:53][C:54](=[O:55])[c:56]1[n:57][c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[cH:64][cH:65]1)[CH2:66][C:67]([NH2:68])=[O:69])=[O:70].[c:1]1([C:7](=[O:8])[OH:9])[cH:2][cH:3][cH:4][cH:5][n:6]1.[cH:89]1[cH:90][cH:91][n:92][cH:93][cH:94]1>>[c:1]1([C:7](=[O:8])[O:9][CH:20]([CH2:21][N:22]([NH:23][C:24]([CH:25]([NH:26][C:27](=[O:28])[O:29][CH3:30])[CH:31]([CH3:32])[CH3:33])=[O:34])[CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[CH:42]([CH2:43][c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[NH:50][C:51]([CH:52]([NH:53][C:54](=[O:55])[c:56]2[n:57][c:58]3[cH:59][cH:60][cH:61][cH:62][c:63]3[cH:64][cH:65]2)[CH2:66][C:67]([NH2:68])=[O:69])=[O:70])[cH:2][cH:3][cH:4][cH:5][n:6]1Participants
9
Sources & evidence
- ORD record
- ord-3777b4a384db4b27a88511d1bed7a3de
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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