Toluene → HCID 58046461, compound

HRID 1124439Notes

Reaction equation

HRID 1124439 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][C:10]([CH3:20])([CH2:21][O:22][c:23]2[n:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]2)[CH:11]([c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[CH2:12]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:30][C:31]([O:32][CH:33]([Cl:34])[CH3:35])=[O:36]>>[NH:8]1[CH2:9][C:10]([CH3:20])([CH2:21][O:22][c:23]2[n:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]2)[CH:11]([c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[CH2:12]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 81531DiisopropylethylamineHCID 5213051-Chloroethyl chloroformateHCID 67016478HCID 67016478, compound

Product 1

HCID 58046461HCID 58046461, compound

Sources & evidence

ORD record
ord-6dd1baa8c1644df9a9f8459fc39e3480
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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