Toluene → HCID 76578500, compound

HRID 2136465Notes

Reaction equation

HRID 2136465 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4]([NH:25][CH2:26][CH:27]([NH:28][c:29]2[s:30][c:31]3[c:32]([n:33]2)[cH:34][cH:35][cH:36][cH:37]3)[C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[n:5][cH:6][n:7][c:8]1[N:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]3[c:23]([n:24]2)[NH:22][CH2:21][CH2:20][CH2:19]3)[CH2:13][CH2:14]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Cl:59][CH2:60][Cl:61].[OH:45][C:46]([C:47]([F:48])([F:49])[F:50])=[O:51]>>[CH2:1]([CH3:2])[c:3]1[c:4]([NH:25][CH2:26][CH:27]([NH:28][c:29]2[s:30][c:31]3[c:32]([n:33]2)[cH:34][cH:35][cH:36][cH:37]3)[C:38](=[O:39])[OH:40])[n:5][cH:6][n:7][c:8]1[N:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]3[c:23]([n:24]2)[NH:22][CH2:21][CH2:20][CH2:19]3)[CH2:13][CH2:14]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 76578501HCID 76578501, compound

Product 1

HCID 76578500HCID 76578500, compound

Sources & evidence

ORD record
ord-5afbd8b960e84a93a37b5d2835470c41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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