Toluene → HCID 19711080, compound

HRID 1537736Notes

Reaction equation

HRID 1537736 reaction equation
[CH2:1]([CH3:2])[Cl:3].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[N:4]1([CH2:10][CH2:11][CH2:12][O:13][C:14](=[O:15])[N:16]2[C:17](=[O:45])[S:18][CH:19]([CH3:44])[C:20]([c:22]3[cH:23][c:24]4[c:29]([cH:30][cH:31]3)[N:28]([C:32]([c:33]3[cH:34][c:35]([O:41][CH3:42])[c:36]([O:39][CH3:40])[cH:37][cH:38]3)=[O:43])[CH2:27][CH2:26][CH2:25]4)=[N:21]2)[CH2:5][CH2:6][NH:7][CH2:8][CH2:9]1>>[CH2:1]([CH3:2])[N:7]1[CH2:6][CH2:5][N:4]([CH2:10][CH2:11][CH2:12][O:13][C:14](=[O:15])[N:16]2[C:17](=[O:45])[S:18][CH:19]([CH3:44])[C:20]([c:22]3[cH:23][c:24]4[c:29]([cH:30][cH:31]3)[N:28]([C:32]([c:33]3[cH:34][c:35]([O:41][CH3:42])[c:36]([O:39][CH3:40])[cH:37][cH:38]3)=[O:43])[CH2:27][CH2:26][CH2:25]4)=[N:21]2)[CH2:9][CH2:8]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6337ChloroethaneHCID 8471TriethylamineHCID 19711061HCID 19711061, compound

Product 1

HCID 19711080HCID 19711080, compound

Sources & evidence

ORD record
ord-7bb523ca457545db9c456573a72ba546
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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