1,2-Dichloroethane → Chloride

HRID 99573Notes

Reaction equation

HRID 99573 reaction equation
[Cl:2][CH2:3][c:4]1[n:5][c:6]2[n:7]([c:8]([CH3:13])[cH:9][c:10]([CH3:12])[n:11]2)[cH:14]1.[Cl:45][CH2:46][CH2:47][Cl:48].[ClH:1].[N:15]12[CH2:16][CH2:17][CH2:18][N:19]=[C:20]1[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2.[c:26]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH2:3]([c:4]1[n:5][c:6]2[n:7]([c:8]([CH3:13])[cH:9][c:10]([CH3:12])[n:11]2)[cH:14]1)[P+:32]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl-:2]

Participants

7

Reactant 5

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 11776TriphenylphosphineHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 6933302-(Chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine

Product 2

HCID 312ChlorideHCID 45129628(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-triphenylphosphanium

Sources & evidence

ORD record
ord-7bc5f05d233e47b4833a969a96e5bbb9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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