Water → HCID 86605359, compound
Reaction equation
[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH:1]([CH3:2])([CH3:3])[O:4][P:5](=[O:6])([O:7][CH:8]([CH3:9])[CH3:10])[CH2:11][O:12][CH2:13][n:14]1[c:15]2[n:16][c:17]([C:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[n:18][c:19]([NH:29][O:30][CH3:31])[c:20]2[n:21][c:22]1[CH2:23][CH2:24][CH2:25][N:26]=[N+:27]=[N-:28].[OH2:75].[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[CH:1]([CH3:2])([CH3:3])[O:4][P:5](=[O:6])([O:7][CH:8]([CH3:9])[CH3:10])[CH2:11][O:12][CH2:13][n:14]1[c:15]2[n:16][c:17]([C:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[n:18][c:19]([NH:29][O:30][CH3:31])[c:20]2[n:21][c:22]1[CH2:23][CH2:24][CH2:25][NH2:26]Participants
5
Sources & evidence
- ORD record
- ord-7b3895d2c2344e13ac71e30db648d4f0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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