Toluene → HCID 178513654, compound

HRID 2343715Notes

Reaction equation

HRID 2343715 reaction equation
[C:1]([NH2:2])(=[O:3])[CH:4]1[N:5]([CH2:9][CH:10]2[N:11]([C:35](=[O:36])[O:37][CH2:38][c:39]3[cH:40][cH:41][c:42]([N+:45](=[O:46])[O-:47])[cH:43][cH:44]3)[CH2:12][CH:13]([S:15][C:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:14]2)[CH2:6][CH2:7][CH2:8]1.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[OH:52][C:53]([C:54]([F:55])([F:56])[F:57])=[O:58].[SH:48][CH2:49][CH2:50][OH:51]>>[C:1]([NH2:2])(=[O:3])[CH:4]1[N:5]([CH2:9][CH:10]2[N:11]([C:35](=[O:36])[O:37][CH2:38][c:39]3[cH:40][cH:41][c:42]([N+:45](=[O:46])[O-:47])[cH:43][cH:44]3)[CH2:12][CH:13]([SH:15])[CH2:14]2)[CH2:6][CH2:7][CH2:8]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 15672-MercaptoethanolHCID 6422Trifluoroacetic acidHCID 178513653HCID 178513653, compound

Product 1

HCID 178513654HCID 178513654, compound

Sources & evidence

ORD record
ord-62f978b521e146cda3ea59f540b99fc9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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