Water → HCID 86610002, compound
Reaction equation
[CH3:71][C:72](=[O:73])[O:74][C:75](=[O:76])[CH3:77].[N:1](=[N+:2]=[N-:3])[CH2:4][CH2:5][c:6]1[c:7]([O:14][CH2:15][CH2:16][O:17][CH:18]2[CH2:19][N:20]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[CH2:21][CH2:22][CH:23]2[c:24]2[cH:25][cH:26][c:27]([O:30][CH2:31][CH2:32][CH2:33][O:34][CH2:35][c:36]3[c:37]([O:42][CH3:43])[cH:38][cH:39][cH:40][cH:41]3)[cH:28][cH:29]2)[n:8][c:9]([CH3:13])[n:10][c:11]1[Cl:12].[O:78]1[CH2:79][CH2:80][CH2:81][CH2:82]1.[OH2:51].[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[NH:1]([CH2:4][CH2:5][c:6]1[c:7]([O:14][CH2:15][CH2:16][O:17][CH:18]2[CH2:19][N:20]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[CH2:21][CH2:22][CH:23]2[c:24]2[cH:25][cH:26][c:27]([O:30][CH2:31][CH2:32][CH2:33][O:34][CH2:35][c:36]3[c:37]([O:42][CH3:43])[cH:38][cH:39][cH:40][cH:41]3)[cH:28][cH:29]2)[n:8][c:9]([CH3:13])[n:10][c:11]1[Cl:12])[C:72]([CH3:71])=[O:73]Participants
6
Sources & evidence
- ORD record
- ord-81cf9d0ab4204637b3e4b9e6e9a63790
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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