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1,2-Dichloroethane → Hydrochloric Acid

HRID 90289
Notes
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Reaction equation

HRID 90289 reaction equation
[C:35]([OH:36])([CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][cH:8][c:9]([C:12]#[C:13][C:14]3([OH:20])[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:10][c:11]12.[Cl:40][CH2:41][CH2:42][Cl:43].[Cl:44][CH2:45][Cl:46].[O:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[c:28]1[cH:29][cH:30][c:31]([NH2:32])[cH:33][cH:34]1>>[ClH:1].[c:2]1([NH:32][c:31]2[cH:30][cH:29][c:28]([O:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:34][cH:33]2)[n:3][cH:4][n:5][c:6]2[cH:7][cH:8][c:9]([C:12]#[C:13][C:14]3([OH:20])[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:10][c:11]12
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 5

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 6386tert-ButanolHCID 8764(4-Aminophenoxy)benzeneHCID 155504864-(4-Chloro-quinazolin-6-ylethynyl)-tetrahydro-pyran-4-ol

Product 2

HCID 313Hydrochloric Acid
HCID 15550487
4-[2-[4-(4-Phenoxyanilino)quinazolin-6-yl]ethynyl]oxan-4-ol

Sources & evidence

ORD record
ord-bf0b573284d846178e176b3df99db115
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes