Chloride → HCID 178442972, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH:10]([CH3:11])[CH3:12])[C:13](=[O:14])[O:15][CH2:16][CH2:17][CH:18]([CH2:19][n:20]1[c:21]2[n:22][c:23]([NH2:30])[nH:24][c:25](=[O:29])[c:26]2[n:27][cH:28]1)[CH2:31][O:32][C:33]([CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50])=[O:51].[CH2:52]([N:53]([CH2:54][CH3:55])[c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[CH3:62].[CH3:68][C:69]#[N:70].[CH3:72][N+:73]([CH3:74])([CH3:75])[CH3:76].[Cl-:71].[P:63]([Cl:64])([Cl:65])([Cl:66])=[O:67]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH:10]([CH3:11])[CH3:12])[C:13](=[O:14])[O:15][CH2:16][CH2:17][CH:18]([CH2:19][n:20]1[c:21]2[n:22][c:23]([NH2:30])[n:24][c:25]([Cl:65])[c:26]2[n:27][cH:28]1)[CH2:31][O:32][C:33]([CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50])=[O:51]Participants
7
Sources & evidence
- ORD record
- ord-71ccda66b947424b8f9da4c2af679ad0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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