Chloride → HCID 178446739, compound

HRID 1537307Notes

Reaction equation

HRID 1537307 reaction equation
[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl-:49].[Cl:16][C:17]([Cl:18])=[O:19].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][CH2:9][C:10]2([CH2:14][OH:15])[CH2:11][CH2:12][CH2:13]2)[n:7]1.[Cl:50][CH2:51][Cl:52].[NH2:20][CH:21]([CH:22]([C:23](=[O:24])[NH:25][CH:26]([CH3:27])[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[OH:34])[CH2:35][CH2:36][CH2:37][CH3:38].[Na+:48].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][CH2:9][C:10]2([CH2:14][O:15][C:17](=[O:19])[NH:20][CH:21]([CH:22]([C:23](=[O:24])[NH:25][CH:26]([CH3:27])[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[OH:34])[CH2:35][CH2:36][CH2:37][CH3:38])[CH2:11][CH2:12][CH2:13]2)[n:7]1

Participants

11

Reactant 10

HCID 312ChlorideHCID 923Sodium ionHCID 1140TolueneHCID 6344DichloromethaneHCID 6371PhosgeneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 11413552(1-{[(2-Chloro-4-pyrimidinyl)oxy]methyl}cyclobutyl)methanolHCID 1784466363-amino-2-hydroxy-N-(1-phenylethyl)heptanamide

Product 1

HCID 178446739HCID 178446739, compound

Sources & evidence

ORD record
ord-b929d19769b547d1a484027292a9cd27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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