Water → HCID 70002552, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:28](=[O:29])[O-:30])[cH:10][c:11]([I:27])[c:12]([N:14]2[CH2:15][CH2:16][CH:17]([O:20][CH:21]3[O:22][CH2:23][CH2:24][CH2:25][CH2:26]3)[CH2:18][CH2:19]2)[cH:13]1)=[O:31].[C:32]([O:33][C:34](=[O:35])[NH:36][c:37]1[cH:38][c:39]([N:40]2[CH2:41][CH2:42][CH:43]([OH:44])[CH2:45][CH2:46]2)[c:47]([I:48])[cH:49][c:50]1[N+:51]([O-:52])=[O:53])([CH3:54])([CH3:55])[CH3:56].[CH2:57]1[CH2:58][CH:59]=[CH:60][O:61][CH2:62]1.[CH3:63][c:64]1[cH:65][cH:66][c:67]([S:68]([OH:69])(=[O:70])=[O:71])[cH:72][cH:73]1.[Cl:85][CH2:86][Cl:87].[OH2:74].[OH:75][B:76]([OH:77])[c:78]1[cH:79][cH:80][c:81]([F:82])[cH:83][cH:84]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:28](=[O:29])[O-:30])[cH:10][c:11](-[c:78]2[cH:79][cH:80][c:81]([F:82])[cH:83][cH:84]2)[c:12]([N:14]2[CH2:15][CH2:16][CH:17]([O:20][CH:21]3[O:22][CH2:23][CH2:24][CH2:25][CH2:26]3)[CH2:18][CH2:19]2)[cH:13]1)=[O:31]Participants
8
Sources & evidence
- ORD record
- ord-90660fd324174882bfeca0265ebdfcca
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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