Water → HCID 178472297, compound
Reaction equation
[C:73]([O:74][CH2:75][CH3:76])(=[O:77])[CH3:78].[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([NH:6][C:7]([CH2:8][Br:9])=[O:10])[CH2:11][S:12][C:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[O:32].[CH2:64]([Cl:65])[Cl:66].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72].[OH2:63].[c:40]1([C:46]([S:47][CH2:48][CH2:49][NH2:50])([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([NH:6][C:7]([CH2:8][NH:50][CH2:49][CH2:48][S:47][C:46]([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)=[O:10])[CH2:11][S:12][C:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[O:32]Participants
8
Sources & evidence
- ORD record
- ord-f2e4fdb2a7f4476282d10aa5957b36fd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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