Benzene → HCID 10509356, compound

HRID 105770Notes

Reaction equation

HRID 105770 reaction equation
[CH2:59]([P:60]([CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH2:67][CH3:68])[CH2:69][CH2:70][CH3:71].[N:72]([C:73]([N:74]1[CH2:75][CH2:76][CH2:77][CH2:78][CH2:79]1)=[O:80])=[N:81][C:82]([N:83]1[CH2:84][CH2:85][CH2:86][CH2:87][CH2:88]1)=[O:89].[OH:1][CH2:2][c:3]1[n:4][c:5]2[c:6]([n:7][cH:8][cH:9][cH:10]2)[n:11]1[CH2:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:17][cH:18]1.[OH:25][c:26]1[cH:27][cH:28][c:29]([CH2:30][CH:31]2[C:32](=[O:56])[N:33]([C:37]([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[C:34](=[O:36])[S:35]2)[cH:57][cH:58]1.[cH:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1>>[O:1]([CH2:2][c:3]1[n:4][c:5]2[c:6]([n:7][cH:8][cH:9][cH:10]2)[n:11]1[CH2:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:17][cH:18]1)[c:26]1[cH:27][cH:28][c:29]([CH2:30][CH:31]2[C:32](=[O:56])[N:33]([C:37]([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[C:34](=[O:36])[S:35]2)[cH:57][cH:58]1

Participants

6

Sources & evidence

ORD record
ord-73fa186a4f1342cb95eabbe0e9eec0c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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