Benzene → HCID 23298294, compound

HRID 1217754Notes

Reaction equation

HRID 1217754 reaction equation
[CH2:47]([P:48]([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH3:59].[N:60]([C:61]([N:62]1[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1)=[O:68])=[N:69][C:70]([N:71]1[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]1)=[O:77].[OH:13][c:14]1[cH:15][cH:16][c:17]([CH2:18][CH:19]2[C:20](=[O:44])[N:21]([C:25]([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[C:22](=[O:24])[S:23]2)[cH:45][cH:46]1.[OH:1][CH2:2][CH2:3][c:4]1[n:5][c:6]2[n:7]([cH:8][cH:9][cH:10][cH:11]2)[cH:12]1.[cH:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1>>[O:1]([CH2:2][CH2:3][c:4]1[n:5][c:6]2[n:7]([cH:8][cH:9][cH:10][cH:11]2)[cH:12]1)[c:14]1[cH:15][cH:16][c:17]([CH2:18][CH:19]2[C:20](=[O:44])[N:21]([C:25]([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[C:22](=[O:24])[S:23]2)[cH:45][cH:46]1

Participants

6

Sources & evidence

ORD record
ord-127902bc6d144da48e3df682c413852b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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