Water → HCID 178442129, compound
Reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:21]2[cH:22][cH:23][c:24]([OH:27])[cH:25][cH:26]2)[n:6]1[CH2:7][CH2:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[cH:14][cH:15]1.[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[N:42]([C:43]([N:44]1[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1)=[O:50])=[N:51][C:52]([N:53]1[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1)=[O:59].[OH2:86].[OH:28][CH:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:21]2[cH:22][cH:23][c:24]([O:27][CH:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:25][cH:26]2)[n:6]1[CH2:7][CH2:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[cH:14][cH:15]1Participants
7
Sources & evidence
- ORD record
- ord-e9f667e7a33e42d49bda1c72d4972374
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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