Water → HCID 178438198, compound
Reaction equation
[CH3:17][C:18]#[N:19].[CH3:1][N:2]([CH2:3][CH2:4][NH2:5])[CH2:6][c:7]1[cH:8][cH:9][n:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12.[CH3:20][N:21]([CH:22]1[CH:23]([OH:75])[CH:24]([O:25][CH:26]2[C:27]([CH3:68])([O:69][CH3:70])[CH2:28][CH:29]([CH3:67])[C:30](=[O:66])[CH:31]([CH3:65])[CH:32]3[N:33]([CH2:52][CH2:53][CH2:54][CH2:55][n:56]4[c:57]5[c:58]([n:59][cH:60][cH:61][cH:62]5)[n:63][cH:64]4)[C:34](=[O:51])[O:35][C:36]3([CH2:49][CH3:50])[CH:37]([CH2:47][CH3:48])[O:38][C:39](=[O:46])[CH:40]([CH3:45])[C:41](=[O:44])[CH:42]2[CH3:43])[O:71][CH:72]([CH3:74])[CH2:73]1)[CH3:76].[OH2:77]>>[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[CH:32]2[CH:31]([CH3:65])[C:30](=[O:66])[CH:29]([CH3:67])[CH2:28][C:27]([CH3:68])([O:69][CH3:70])[CH:26]([O:25][CH:24]3[CH:23]([OH:75])[CH:22]([N:21]([CH3:20])[CH3:76])[CH2:73][CH:72]([CH3:74])[O:71]3)[CH:42]([CH3:43])[C:41](=[O:44])[CH:40]([CH3:45])[C:39](=[O:46])[O:38][CH:37]([CH2:47][CH3:48])[C:36]2([CH2:49][CH3:50])[O:35][C:34]1=[O:51])[CH2:6][c:7]1[cH:8][cH:9][n:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12Participants
5
Sources & evidence
- ORD record
- ord-133c7e8920e54529929d6ff750863ff3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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