Benzene → HCID 54033802, compound

HRID 1133582Notes

Reaction equation

HRID 1133582 reaction equation
[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[NH:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[n:8][c:9]2[c:14]([c:15]([NH:20][CH2:21][CH:22]([CH3:23])[CH3:24])[c:16]1[N+:17](=[O:18])[O-:19])[CH2:13][CH2:12][CH2:11][CH2:10]2)(=[O:25])=[O:26].[cH:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[c:7]1([N:34]([CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[n:8][c:9]2[c:14]([c:15]([NH:20][CH2:21][CH:22]([CH3:23])[CH3:24])[c:16]1[N+:17](=[O:18])[O-:19])[CH2:13][CH2:12][CH2:11][CH2:10]2

Participants

5

Reactant 4

HCID 241BenzeneHCID 7656DibenzylamineHCID 8471TriethylamineHCID 53725113HCID 53725113, compound

Product 1

HCID 54033802HCID 54033802, compound

Sources & evidence

ORD record
ord-b3567799fd3d4bac8a558b924a123557
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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