1,2-Dichloroethane → HCID 66701197, compound

HRID 156466Notes

Reaction equation

HRID 156466 reaction equation
[CH2:62]([Cl:63])[CH2:64][Cl:65].[CH3:38][O:39][C:40]([C:41]([NH2:42])([CH3:43])[CH3:44])=[O:45].[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[ClH:37].[ClH:55].[F:1][c:2]1[cH:3][c:4]([C:24](=[O:25])[OH:26])[c:5]([O:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:56].[OH:27][n:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[F:1][c:2]1[cH:3][c:4]([C:24](=[O:25])[NH:42][C:41]([C:40]([O:39][CH3:38])=[O:45])([CH3:43])[CH3:44])[c:5]([O:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 4186341Methyl 2-amino-2-methylpropanoateHCID 23132783HCID 23132783, compound

Product 1

HCID 66701197HCID 66701197, compound

Sources & evidence

ORD record
ord-1411783ed8d34a96865772db1e19aea1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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