Benzoic Acid → HCID 20535083, compound

HRID 2155653Notes

Reaction equation

HRID 2155653 reaction equation
[CH2:52]([Cl:53])[Cl:54].[CH3:36][N:37]([CH3:38])[c:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cl:10][C:11]([O:12][CH2:13][CH:14]([CH3:15])[CH3:16])=[O:17].[NH2:18][c:19]1[n:20][c:21]([N:29]([CH2:30][CH:31]=[CH2:32])[CH2:33][CH:34]=[CH2:35])[n:22][c:23]2[n:24]1[o:25][c:26](=[O:28])[n:27]2.[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:18][c:19]1[n:20][c:21]([N:29]([CH2:30][CH:31]=[CH2:32])[CH2:33][CH:34]=[CH2:35])[n:22][c:23]2[n:24]1[o:25][c:26](=[O:28])[n:27]2

Participants

7

Reactant 6

HCID 243Benzoic AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 62365Isobutyl chloroformateHCID 20535125HCID 20535125, compound

Product 1

HCID 20535083HCID 20535083, compound

Sources & evidence

ORD record
ord-ba2b7d2781c74bdcac2e6a40611ed8f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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